Geometry & MOs

Info

ID:	217119
PubChem CID:	85087286
Reduced:	SN4O4C14H14 (1)
Stoich.:	AB4C4D14E14 (1)
Weight, g/mol:	334.131742
ΔH_f, kcal/mol:	-66.28
Dipole, Da:	6.87
IP(EA), eV:	-8.88(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethoxy-3-hydroxy-2-(2-methyl-3-oxo-5-phenyl-1H-isoindol-1-yl)prop-2-enenitrile

Drug info:

PubChemData

Smile

C1=CC(=CNNC(=O)NC2=CC(=CC=C2)S(=O)(=O)N)C(=O)C=C1

DOS

IR

Vibrations