Geometry & MOs

Info

ID:	137468
PubChem CID:	52211803
Reduced:	SN4O6C16H24 (1)
Stoich.:	AB4C6D16E24 (1)
Weight, g/mol:	398.162391
ΔH_f, kcal/mol:	-169.36
Dipole, Da:	9.82
IP(EA), eV:	-9.38(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-nitro-4-piperidin-1-ylsulfonylanilino)-N-propan-2-ylpropanamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)CCNC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)[N+](=O)[O-]

DOS

IR

Vibrations