Geometry & MOs

Info

ID:	37619
PubChem CID:	8022647
Reduced:	N2O6C19H19 (1)
Stoich.:	A2B6C19D19 (1)
Weight, g/mol:	301.995048
ΔH_f, kcal/mol:	-187.17
Dipole, Da:	7.19
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754873
Charge, e:	0

Chem-info

IUPAC name:

(3aS,6aS)-3-(2-chlorophenyl)-5,5-dioxo-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazole-2-thione

Drug info:

PubChemData

Smile

CCN1C=C(C(=O)C2=CC3=C(C=C21)OCO3)C(=O)N4CCC(CC4)C(=O)[O-]

DOS

IR

Vibrations