2-{[Bis(2-Chloroethyl)Amino]Methyl}-5-Nitro-L-Phenylalanine

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Properties Simple | Detailed

Formula C14H19Cl2N3O4
IUPAC Name (2s)-2-amino-3-[2-[bis(2-chloroethyl)aminomethyl]-5-nitro-phenyl]propanoic acid
Molecular Mass 364.224 g·mol−1
Heat of Formation -436.3 ± 16.7 kJ·mol−1
Dipole Moment 5.78 ± 1.08 D
Volume 413.12 Å 3
Surface Area 349.38 Å 2
HOMO Energy -9.98 ± 0.55 eV
LUMO Energy -1.36 ± eV
Point Group Symmetry C1
InChIKey VEBTZMUIBMIPCD-ZDUSSCGKSA-N
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Elements H C N O Cl