Geometry & MOs

Info

ID:	85375
PubChem CID:	49874621
Reduced:	ClN2O3H9C11 (1)
Stoich.:	AB2C3D9E11 (1)
Weight, g/mol:	329.031771
ΔH_f, kcal/mol:	-75.31
Dipole, Da:	10.25
IP(EA), eV:	-9.25(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-dimethyl-6-nitro-2-oxobenzimidazol-5-yl)sulfonylacetic acid

Drug info:

PubChemData

Smile

CC1=CC(=O)N(N1)C2=CC(=C(C=C2)Cl)C(=O)O

DOS

IR

Vibrations