Geometry & MOs

Info

ID:	20376
PubChem CID:	583439
Reduced:	SO2N3C17H17 (1)
Stoich.:	AB2C3D17E17 (1)
Weight, g/mol:	327.104148
ΔH_f, kcal/mol:	-15.1
Dipole, Da:	6.73
IP(EA), eV:	-8.78(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(2-methoxyphenyl)acetamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1NC(=O)CSCC2=NC3=CC=CC=C3N2

DOS

IR

Vibrations