Geometry & MOs

Info

ID:	120954
PubChem CID:	50751698
Reduced:	ClSN2O3C21H23 (1)
Stoich.:	ABC2D3E21F23 (1)
Weight, g/mol:	455.220892
ΔH_f, kcal/mol:	-91.07
Dipole, Da:	3.91
IP(EA), eV:	-9.28(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-[3-(2,3-dimethylphenoxy)-2-hydroxypropyl]benzimidazol-2-yl]-1-phenylpyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2[C@@H]3CS(=O)(=O)C[C@@H]3N(CC2=O)CCC4=CC=C(C=C4)Cl

DOS

IR

Vibrations