3-[(N-{3-[(Diaminomethylene)Amino]Benzoyl}Glycyl)Amino]-3-(3,5-Dichlorophenyl)Propanoic Acid

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Properties Simple | Detailed

Formula C19H19Cl2N5O4
IUPAC Name (3s)-3-(3,5-dichlorophenyl)-3-[[2-[(3-guanidinobenzoyl)amino]acetyl]amino]propanoic acid
Molecular Mass 452.291 g·mol−1
Heat of Formation -557.2 ± 16.7 kJ·mol−1
Dipole Moment 5.00 ± 1.08 D
Volume 504.08 Å 3
Surface Area 448.13 Å 2
HOMO Energy -9.28 ± 0.55 eV
LUMO Energy -0.84 ± eV
Point Group Symmetry C1
InChIKey XWMBYGCYHWLPMQ-HNNXBMFYSA-N
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Elements H C N O Cl