Geometry & MOs

Info

ID:	38168
PubChem CID:	8027639
Reduced:	F2N2O2S2H10C11 (1)
Stoich.:	A2B2C2D2E10F11 (1)
Weight, g/mol:	402.047477
ΔH_f, kcal/mol:	-125.23
Dipole, Da:	2.4
IP(EA), eV:	-9.72(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3aS,6aS)-3-(3-chloro-4-methoxyphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]-2-methylpropanamide

Drug info:

PubChemData

Smile

C1[C@@H]2[C@@H](CS1(=O)=O)SC(=N)N2C3=C(C=C(C=C3)F)F

DOS

IR

Vibrations