Geometry & MOs

Info

ID:	404983
PubChem CID:	135071993
Reduced:	O2H8C9 (3)
Stoich.:	A2B8C9 (3)
Weight, g/mol:	384.069927
ΔH_f, kcal/mol:	-98.12
Dipole, Da:	1.79
IP(EA), eV:	-8.38(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-[(3-chlorophenyl)-phenylmethylidene]amino]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C#CC2=C(C(=CC(=C2)/C=C/C(=O)OC)OC)O)OCC3=CC=CC=C3

DOS

IR

Vibrations