Geometry & MOs

Info

ID:	167952
PubChem CID:	74904721
Reduced:	BrSN4O6H21C23 (1)
Stoich.:	ABC4D6E21F23 (1)
Weight, g/mol:	466.131091
ΔH_f, kcal/mol:	-52.57
Dipole, Da:	9.08
IP(EA), eV:	-9.57(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-methylphenyl)ethylideneamino]-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N(CC(=O)NN=CC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC(=C(C=C3)OC)Br

DOS

IR

Vibrations