Geometry & MOs

Info

ID:	67575
PubChem CID:	46506752
Reduced:	ClSN3O3H18C20 (1)
Stoich.:	ABC3D3E18F20 (1)
Weight, g/mol:	415.07574
ΔH_f, kcal/mol:	-58.91
Dipole, Da:	3.47
IP(EA), eV:	-9.17(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2C3CS(=O)(=O)CC3N(C2=O)CC4=CC(=CC=C4)C#N)Cl

DOS

IR

Vibrations