Geometry & MOs

Info

ID:	38245
PubChem CID:	8028451
Reduced:	Cl2S2N3O3H11C14 (1)
Stoich.:	A2B2C3D3E11F14 (1)
Weight, g/mol:	402.961889
ΔH_f, kcal/mol:	-61.75
Dipole, Da:	4.19
IP(EA), eV:	-9.68(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3aR,6aR)-3-(2,3-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)N2C3=C(C(=CC=C3)Cl)Cl

DOS

IR

Vibrations