Geometry & MOs

Info

ID:	37627
PubChem CID:	8022679
Reduced:	NSO2C6H6 (2)
Stoich.:	ABC2D6E6 (2)
Weight, g/mol:	332.005612
ΔH_f, kcal/mol:	-101.64
Dipole, Da:	3.92
IP(EA), eV:	-8.92(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1[C@@H]2[C@@H](CS1(=O)=O)N(C(=S)N2)C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations