Geometry & MOs

Info

ID:	142019
PubChem CID:	52969288
Reduced:	SN3O6C25H29 (1)
Stoich.:	AB3C6D25E29 (1)
Weight, g/mol:	489.11252
ΔH_f, kcal/mol:	-104.39
Dipole, Da:	6.07
IP(EA), eV:	-8.23(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-[(4-chlorophenyl)sulfonylhydrazinylidene]-N-(3-methoxyphenyl)-4a,5,6,7,8,8a-hexahydrochromene-3-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)C\2=CC3CCCC(C3O/C2=N\NS(=O)(=O)C4=CC=CC=C4)OC

DOS

IR

Vibrations