Geometry & MOs

Info

ID:	396538
PubChem CID:	135028695
Reduced:	ClNOSC18H18 (1)
Stoich.:	ABCDE18F18 (1)
Weight, g/mol:	363.147058
ΔH_f, kcal/mol:	28.61
Dipole, Da:	4.52
IP(EA), eV:	-8.66(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-2-(4-hydroxyphenyl)-3H-isoindol-1-one

Drug info:

PubChemData

Smile

CN(C/C=C/C1=CC=CC=C1)C(=S)COC2=CC=C(C=C2)Cl

DOS

IR

Vibrations