Geometry & MOs

Info

ID:	397859
PubChem CID:	135030850
Reduced:	O5C19H40 (1)
Stoich.:	A5B19C40 (1)
Weight, g/mol:	361.11365
ΔH_f, kcal/mol:	-312.65
Dipole, Da:	2.71
IP(EA), eV:	-10.31(1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCC[C@H]([C@H]([C@@H]([C@H](CO)O)O)O)O

DOS

IR

Vibrations