Geometry & MOs

Info

ID:	392857
PubChem CID:	135018195
Reduced:	NSO2C19H21 (1)
Stoich.:	ABC2D19E21 (1)
Weight, g/mol:	384.01095
ΔH_f, kcal/mol:	-30.96
Dipole, Da:	4.36
IP(EA), eV:	-9.17(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromonaphthalen-1-yl)-N-methyl-2-nitrobenzamide

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCC(=C(CC1)C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations