Geometry & MOs

Info

ID:	397860
PubChem CID:	135030851
Reduced:	NSO2H19C22 (1)
Stoich.:	ABC2D19E22 (1)
Weight, g/mol:	349.093663
ΔH_f, kcal/mol:	-10.33
Dipole, Da:	5.26
IP(EA), eV:	-8.89(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-(4-fluorophenyl)-3-(2-methylphenyl)sulfanyl-2H-isoindol-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@]2(C3=CC=CC=C3C(=O)N2)SC4=CC=C(C=C4)OC

DOS

IR

Vibrations