Geometry & MOs

Info

ID:	169144
PubChem CID:	75067890
Reduced:	ClN2O3C25H29 (1)
Stoich.:	AB2C3D25E29 (1)
Weight, g/mol:	468.135508
ΔH_f, kcal/mol:	-70.02
Dipole, Da:	7.0
IP(EA), eV:	-9.04(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-(1,3-benzodioxol-5-yl)-1-(4-hydroxy-6-oxo-3-propan-2-ylcyclohexa-2,4-dien-1-ylidene)ethyl]benzenesulfonohydrazide

Drug info:

PubChemData

Smile

CCC(C1=C(C=C(C=C1)C2CCC(CC2)OC3=CC4=CC=NC(=O)C4=CC3Cl)OC)N

DOS

IR

Vibrations