Geometry & MOs

Info

ID:	220371
PubChem CID:	85182215
Reduced:	SSiN2O5C21H44 (1)
Stoich.:	ABC2D5E21F44 (1)
Weight, g/mol:	470.095473
ΔH_f, kcal/mol:	-321.3
Dipole, Da:	5.59
IP(EA), eV:	-8.44(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(4-chlorophenyl)sulfonyl-3-(4-methylphenyl)-3-oxoprop-1-enyl]-4a,5,6,7,8,8a-hexahydrochromen-4-one

Drug info:

PubChemData

Smile

CCOC(C(C(C)N=C(NC(=O)OC(C)(C)C)SC)O[Si](C)(C)C(C)(C)C)OCC

DOS

IR

Vibrations