Geometry & MOs

Info

ID:	67562
PubChem CID:	46506724
Reduced:	SN3O4C21H21 (1)
Stoich.:	AB3C4D21E21 (1)
Weight, g/mol:	411.125277
ΔH_f, kcal/mol:	-85.29
Dipole, Da:	4.54
IP(EA), eV:	-8.62(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3-(4-ethoxyphenyl)-2,5,5-trioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazol-1-yl]methyl]benzonitrile

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N2C3CS(=O)(=O)CC3N(C2=O)CC4=CC=CC=C4C#N

DOS

IR

Vibrations