Geometry & MOs

Info

ID:	405473
PubChem CID:	135074096
Reduced:	NO7H11C13 (1)
Stoich.:	AB7C11D13 (1)
Weight, g/mol:	350.085577
ΔH_f, kcal/mol:	-151.49
Dipole, Da:	5.2
IP(EA), eV:	-9.65(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chlorophenyl)-3-methyl-N-(methyl-oxo-pyridin-2-yl-lambda6-sulfanylidene)butanamide

Drug info:

PubChemData

Smile

CC(=O)OCC(=O)C1=CC2=CC(=CC(=C2O1)OC)[N+](=O)[O-]

DOS

IR

Vibrations