Geometry & MOs

Info

ID:	167951
PubChem CID:	74904511
Reduced:	ClSN3O5H28C35 (1)
Stoich.:	ABC3D5E28F35 (1)
Weight, g/mol:	560.03652
ΔH_f, kcal/mol:	-52.47
Dipole, Da:	9.47
IP(EA), eV:	-8.52(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(N-(3-bromo-4-methoxyphenyl)sulfonyl-4-methylanilino)-N-[(4-nitrophenyl)methylideneamino]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)Cl)C3=CC=CC=C3C(=O)NN=CC4=CC=C(C=C4)OC(=O)C5=CC=CC=C5

DOS

IR

Vibrations