Geometry & MOs

Info

ID:	304332
PubChem CID:	124534942
Reduced:	SN4O8C25H26 (1)
Stoich.:	AB4C8D25E26 (1)
Weight, g/mol:	591.06748
ΔH_f, kcal/mol:	-138.69
Dipole, Da:	3.51
IP(EA), eV:	-8.67(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[(Z)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N/N=C\C2=CC(=C(C=C2)OC)[N+](=O)[O-])C3=C(C=C(C=C3)OC)OC

DOS

IR

Vibrations