Geometry & MOs

Info

ID:	141870
PubChem CID:	52943598
Reduced:	N2O4C15H18 (1)
Stoich.:	A2B4C15D18 (1)
Weight, g/mol:	438.205576
ΔH_f, kcal/mol:	-141.26
Dipole, Da:	5.63
IP(EA), eV:	-8.84(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-1-[(2S)-2-(1H-benzimidazole-2-carbonyl)pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one

Drug info:

PubChemData

Smile

C1[C@@H]([C@@H]([C@H](N1CC2=C3C(=CC=C2)C(=O)C=CN3)CO)O)O

DOS

IR

Vibrations