Benzyl(3-{[1-(3,4-Dichlorophenyl)Ethyl]Amino}-2-Hydroxypropyl)Phosphinic Acid

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Formula C18H22Cl2NO3P
IUPAC Name 2-[(4,5-dichloro-8-bicyclo[4.2.0]octa-1,3,5-trienyl)amino]-1-[(2r)-2-hepta-1,3,5-triynyl-2-oxo-1,2λ5-oxaphosphiran-3-yl]ethanone
Molecular Mass 402.252 g·mol−1
Heat of Formation 2139.4 ± 16.7 kJ·mol−1
Dipole Moment 18.99 ± 1.08 D
Volume 394.97 Å 3
Surface Area 380.78 Å 2
HOMO Energy -8.16 ± 0.55 eV
LUMO Energy -3.65 ± eV
Point Group Symmetry C1
InChIKey ZODSPDOOCZZEIM-CJNGLKHVSA-N
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Elements P C N O Cl