1-(2-Chloroethyl)-3-(2-{4-[(1Z)-1,2-Diphenyl-1-Buten-1-Yl]Phenoxy}Ethyl)-1-Nitrosourea

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Properties Simple | Detailed

Formula C27H28ClN3O3
IUPAC Name 1-(2-chloroethyl)-3-[2-[4-[(z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl]-1-nitroso-urea
Molecular Mass 477.983 g·mol−1
Heat of Formation -98.6 ± 16.7 kJ·mol−1
Dipole Moment 3.19 ± 1.08 D
Volume 608.31 Å 3
Surface Area 464.46 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy -0.51 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(2-chloroethyl)-3-[2-[4-[(z)-1,2-di(phenyl)but-1-enyl]phenoxy]ethyl]-1-nitroso-urea
  • 1-(2-chloroethyl)-3-[2-[4-[(z)-1,2-di(phenyl)but-1-enyl]phenoxy]ethyl]-1-nitrosourea
  • n-(2-chloroethyl)-n'-2-(4-(1,2-diphenylbutenyl)phenoxy)ethyl-n-nitrosourea
  • n-chloroethyl-dbpe-nitrosourea
  • tamoxifen nitrosourea
  • urea, n-(2-chloroethyl)-n'-(2-(4-(1,2-diphenyl-1-butenyl)phenoxy)ethyl)-n-nitroso-, (z)-
CAS Number(s)
  • 104691-78-3
InChIKey QMPIGOLIWOCECP-QPLCGJKRSA-N
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