Geometry & MOs

Info

ID:	218983
PubChem CID:	85090292
Reduced:	OSC17H18 (1)
Stoich.:	ABC17D18 (1)
Weight, g/mol:	371.119129
ΔH_f, kcal/mol:	-1.46
Dipole, Da:	2.76
IP(EA), eV:	-8.7(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2,6-di(propan-2-yloxy)phenyl]sulfanylisoindole-1,3-dione

Drug info:

PubChemData

Smile

C1C[C@@H]([C@H](OC1)C2=CC=CC=C2)SC3=CC=CC=C3

DOS

IR

Vibrations