Geometry & MOs

Info

ID:	276756
PubChem CID:	103824987
Reduced:	NSO2C15H23 (1)
Stoich.:	ABC2D15E23 (1)
Weight, g/mol:	301.082934
ΔH_f, kcal/mol:	-93.79
Dipole, Da:	2.77
IP(EA), eV:	-8.67(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-(4-hydroxy-2,2-dimethylbutyl)-5-nitropyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(CCO)CNC(=O)C1=CC=CC(=C1)CSC

DOS

IR

Vibrations