Geometry & MOs

Info

ID:	38247
PubChem CID:	8028465
Reduced:	ClS2N3O3H14C15 (1)
Stoich.:	AB2C3D3E14F15 (1)
Weight, g/mol:	402.961889
ΔH_f, kcal/mol:	-65.56
Dipole, Da:	7.6
IP(EA), eV:	-9.55(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3aS,6aR)-3-(2,4-dichlorophenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]-2-cyanoacetamide

Drug info:

PubChemData

Smile

C1[C@@H]2[C@H](CS1(=O)=O)SC(=NC(=O)CC#N)N2CC3=CC=CC=C3Cl

DOS

IR

Vibrations