Geometry & MOs

Info

ID:	160379
PubChem CID:	57309727
Reduced:	FSN2O3C19H23 (1)
Stoich.:	ABC2D3E19F23 (1)
Weight, g/mol:	561.102828
ΔH_f, kcal/mol:	-145.97
Dipole, Da:	4.57
IP(EA), eV:	-8.9(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-methylsulfonyl-N-(4-methylsulfonylphenyl)anilino)-2-(pyridin-3-ylmethyl)isoindole-1,3-dione

Drug info:

PubChemData

Smile

CCCS(=O)(=O)NCC(C)(C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2)F

DOS

IR

Vibrations