Geometry & MOs

Info

ID:	218991
PubChem CID:	85090308
Reduced:	OSC19H22 (1)
Stoich.:	ABC19D22 (1)
Weight, g/mol:	269.05105
ΔH_f, kcal/mol:	-20.16
Dipole, Da:	2.86
IP(EA), eV:	-8.47(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylphenyl)sulfanylisoindole-1,3-dione

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)S[C@H]2CCCO[C@@H]2C3=CC=CC=C3

DOS

IR

Vibrations