Geometry & MOs

Info

ID:	218992
PubChem CID:	85090309
Reduced:	NSO2H11C15 (1)
Stoich.:	ABC2D11E15 (1)
Weight, g/mol:	311.098
ΔH_f, kcal/mol:	-19.65
Dipole, Da:	3.87
IP(EA), eV:	-8.76(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,6-diethylphenyl)sulfanylisoindole-1,3-dione

Drug info:

PubChemData

Smile

CC1=CC=CC=C1SN2C(=O)C3=CC=CC=C3C2=O

DOS

IR

Vibrations