Geometry & MOs

Info

ID:	285481
PubChem CID:	104109234
Reduced:	S2N3O4C11H19 (1)
Stoich.:	A2B3C4D11E19 (1)
Weight, g/mol:	252.111007
ΔH_f, kcal/mol:	-170.3
Dipole, Da:	3.98
IP(EA), eV:	-9.35(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-hydroxypentan-2-yl)-2-nitrobenzamide

Drug info:

PubChemData

Smile

CC(CC(C)O)NC(=O)CC1=CSC(=N1)NS(=O)(=O)C

DOS

IR

Vibrations