Geometry & MOs

Info

ID:	64776
PubChem CID:	29203984
Reduced:	SN3O3C16H21 (1)
Stoich.:	AB3C3D16E21 (1)
Weight, g/mol:	279.158292
ΔH_f, kcal/mol:	-84.34
Dipole, Da:	7.33
IP(EA), eV:	-9.72(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-4-(4-nitroanilino)butanamide

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@@H]1CCCN1C2=NS(=O)(=O)C3=CC=CC=C32

DOS

IR

Vibrations