Geometry & MOs

Info

ID:	387050
PubChem CID:	134983790
Reduced:	N2O7C21H22 (1)
Stoich.:	A2B7C21D22 (1)
Weight, g/mol:	426.161329
ΔH_f, kcal/mol:	-167.32
Dipole, Da:	3.41
IP(EA), eV:	-9.71(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethyl-1-naphthalen-2-yl-2-nitrobutyl)-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CCOC(=O)C(C(=O)C(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations