Geometry & MOs

Info

ID:	67574
PubChem CID:	46506749
Reduced:	SN3O3C21H21 (1)
Stoich.:	AB3C3D21E21 (1)
Weight, g/mol:	415.07574
ΔH_f, kcal/mol:	-57.53
Dipole, Da:	1.36
IP(EA), eV:	-9.31(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[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=CC(=C(C=C1)C)N2C3CS(=O)(=O)CC3N(C2=O)CC4=CC=C(C=C4)C#N

DOS

IR

Vibrations