Geometry & MOs

Info

ID:	200457
PubChem CID:	79391053
Reduced:	SO2N3C12H15 (1)
Stoich.:	AB2C3D12E15 (1)
Weight, g/mol:	271.132077
ΔH_f, kcal/mol:	-27.75
Dipole, Da:	3.95
IP(EA), eV:	-8.74(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[2-(cyanomethyl)benzimidazol-1-yl]-2-methylbutanoate

Drug info:

PubChemData

Smile

CC(C(C)SC1=NN=C2N1C=CC=C2)C(=O)OC

DOS

IR

Vibrations