Geometry & MOs

Info

ID:	167283
PubChem CID:	74803084
Reduced:	OSN4C25H33 (1)
Stoich.:	ABC4D25E33 (1)
Weight, g/mol:	436.229683
ΔH_f, kcal/mol:	15.5
Dipole, Da:	2.17
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.777926
Charge, e:	0

Chem-info

IUPAC name:

4-(1H-benzimidazol-2-ylsulfanyl)-N-propan-2-yl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C[NH+]2CC(CC2C(=O)NC(C)C)SC3=NC4=CC=CC=C4N3

DOS

IR

Vibrations