Geometry & MOs

Info

ID:	373847
PubChem CID:	131320614
Reduced:	SN2O4H6C8 (1)
Stoich.:	AB2C4D6E8 (1)
Weight, g/mol:	216.089878
ΔH_f, kcal/mol:	-142.5
Dipole, Da:	1.71
IP(EA), eV:	-9.88(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3-(2-methyl-3H-benzimidazol-5-yl)prop-2-enoic acid

Drug info:

PubChemData

Smile

COC(=O)C1=CC2=C(S1)NC(=O)NC2=O

DOS

IR

Vibrations