Geometry & MOs

Info

ID:	17272
PubChem CID:	491105
Reduced:	SN2O2C19H20 (1)
Stoich.:	AB2C2D19E20 (1)
Weight, g/mol:	340.124549
ΔH_f, kcal/mol:	-33.83
Dipole, Da:	10.04
IP(EA), eV:	-9.28(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclohexyl-2-(5-methylthiophen-2-yl)benzimidazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C2=NC3=C(N2C4CCCCC4)C=CC(=C3)C(=O)O

DOS

IR

Vibrations