Geometry & MOs

Info

ID:	38246
PubChem CID:	8028452
Reduced:	Cl2S2N3O3H11C14 (1)
Stoich.:	A2B2C3D3E11F14 (1)
Weight, g/mol:	383.016511
ΔH_f, kcal/mol:	-62.17
Dipole, Da:	4.11
IP(EA), eV:	-9.71(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3aR,6aR)-3-[(2-chlorophenyl)methyl]-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