Geometry & MOs

Info

ID:	164693
PubChem CID:	74440225
Reduced:	NSO4C19H29 (1)
Stoich.:	ABC4D19E29 (1)
Weight, g/mol:	340.167459
ΔH_f, kcal/mol:	-183.57
Dipole, Da:	5.0
IP(EA), eV:	-9.51(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-hydroxy-9-methoxy-6a-methyl-2-phenyl-2,4,6,10,10a,10b-hexahydro-1H-benzo[f]isochromen-7-one

Drug info:

PubChemData

Smile

CC(C)C1CCC(=O)OC1C(C2=CC=CC=C2)NS(=O)(=O)C(C)(C)C

DOS

IR

Vibrations