Geometry & MOs

Info

ID:	66256
PubChem CID:	46501191
Reduced:	SCl2N2O2H20C23 (1)
Stoich.:	AB2C2D2E20F23 (1)
Weight, g/mol:	561.148905
ΔH_f, kcal/mol:	2.07
Dipole, Da:	4.2
IP(EA), eV:	-8.96(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)COC2=CC=CC=C2/C=N/NC(=O)CSCC3=CC(=CC=C3)Cl)Cl

DOS

IR

Vibrations