Geometry & MOs

Info

ID:	264874
PubChem CID:	103499776
Reduced:	NSO2C13H15 (1)
Stoich.:	ABC2D13E15 (1)
Weight, g/mol:	296.083078
ΔH_f, kcal/mol:	-67.51
Dipole, Da:	5.44
IP(EA), eV:	-9.06(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3-(4-methylsulfonyl-1H-benzimidazol-2-yl)butanoic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)SC(=N2)C(C)C(C)C(=O)O

DOS

IR

Vibrations