Geometry & MOs

Info

ID:	205205
PubChem CID:	80067901
Reduced:	ClN2O2H13C14 (1)
Stoich.:	AB2C2D13E14 (1)
Weight, g/mol:	278.108899
ΔH_f, kcal/mol:	16.09
Dipole, Da:	5.73
IP(EA), eV:	-8.98(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-methyl-2-(6-methyl-2-sulfanylidene-3H-benzimidazol-1-yl)butanoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)[N+](=O)[O-])NCC2=CC=CC=C2Cl

DOS

IR

Vibrations