Geometry & MOs

Info

ID:	268380
PubChem CID:	103599172
Reduced:	NSF3O3H16C18 (1)
Stoich.:	ABC3D3E16F18 (1)
Weight, g/mol:	361.142641
ΔH_f, kcal/mol:	-234.5
Dipole, Da:	6.71
IP(EA), eV:	-9.22(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-oxo-1,2-dihydroisoindol-5-yl)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CS(=O)(=O)CC1=CC(=CC=C1)NC(=O)C=CC2=CC(=CC=C2)C(F)(F)F

DOS

IR

Vibrations