Geometry & MOs

Info

ID:	208785
PubChem CID:	80586204
Reduced:	OSN4C14H22 (1)
Stoich.:	ABC4D14E22 (1)
Weight, g/mol:	276.093249
ΔH_f, kcal/mol:	-31.01
Dipole, Da:	2.36
IP(EA), eV:	-8.56(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-(thiolan-2-ylmethyl)benzimidazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C1=NC=C(C(=N1)C(=O)NCC2CCCS2)NC

DOS

IR

Vibrations