Geometry & MOs

Info

ID:	403168
PubChem CID:	135059038
Reduced:	NOH19C21 (1)
Stoich.:	ABC19D21 (1)
Weight, g/mol:	329.072179
ΔH_f, kcal/mol:	69.04
Dipole, Da:	0.52
IP(EA), eV:	-9.22(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-(benzenesulfonylmethylidene)-2-methoxy-7-methylisoindol-1-one

Drug info:

PubChemData

Smile

CO/N=C(\CC1=CC=CC=C1)/C2=CC=CC=C2C3=CC=CC=C3

DOS

IR

Vibrations