N-({4-[Bis(2-Chloroethyl)Amino]Phenyl}Acetyl)-L-Phenylalanine

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Properties Simple | Detailed

Formula C21H24Cl2N2O3
IUPAC Name (2r)-2-[[2-[4-[bis(2-chloroethyl)amino]phenyl]acetyl]amino]-3-phenyl-propanoic acid
Molecular Mass 423.333 g·mol−1
Heat of Formation -555.8 ± 16.7 kJ·mol−1
Dipole Moment 4.27 ± 1.08 D
Volume 496.68 Å 3
Surface Area 371.53 Å 2
HOMO Energy -8.39 ± 0.55 eV
LUMO Energy -0.24 ± eV
Point Group Symmetry C1
InChIKey WOJORPYBSQEBBK-LJQANCHMSA-N
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Elements H C N O Cl