Geometry & MOs

Info

ID:	39974
PubChem CID:	8143321
Reduced:	N4O4H20C21 (1)
Stoich.:	A4B4C20D21 (1)
Weight, g/mol:	410.025869
ΔH_f, kcal/mol:	-57.95
Dipole, Da:	6.38
IP(EA), eV:	-8.76(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,6aS)-3-(3,4-dichlorophenyl)-1-(4-methylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazol-2-one

Drug info:

PubChemData

Smile

CN(CC1=NC(=O)C2=C(N1)C3=CC=CC=C3O2)CC(=O)NC4=CC(=CC=C4)OC

DOS

IR

Vibrations