Geometry & MOs

Info

ID:	234680
PubChem CID:	92303293
Reduced:	O2N3C22H29 (1)
Stoich.:	A2B3C22D29 (1)
Weight, g/mol:	413.150619
ΔH_f, kcal/mol:	-44.02
Dipole, Da:	0.98
IP(EA), eV:	-9.02(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-butan-2-yl]-2-[2-[[2-(3-chlorophenyl)acetyl]amino]ethyl]benzimidazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)CN2C=CN=C2CN(C[C@H]3CCCO3)C(=O)C4CC4

DOS

IR

Vibrations