Geometry & MOs

Info

ID:	142018
PubChem CID:	52968917
Reduced:	SN3O6C23H25 (1)
Stoich.:	AB3C6D23E25 (1)
Weight, g/mol:	499.177707
ΔH_f, kcal/mol:	-211.67
Dipole, Da:	3.8
IP(EA), eV:	-9.09(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-(benzenesulfonylhydrazinylidene)-N-(4-ethoxyphenyl)-8-methoxy-4a,5,6,7,8,8a-hexahydrochromene-3-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)CN1C2CCC(CC2SC1=NC(=O)C3=CC4=CC=CC=C4OC3=O)NC(=O)C

DOS

IR

Vibrations