Geometry & MOs

Info

ID:	237000
PubChem CID:	92716713
Reduced:	ClNS2O3C19H20 (1)
Stoich.:	ABC2D3E19F20 (1)
Weight, g/mol:	438.063876
ΔH_f, kcal/mol:	-107.19
Dipole, Da:	8.13
IP(EA), eV:	-9.53(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,6aR)-N-[(2-chloro-4-fluorophenyl)methyl]-N-(3,5-dimethylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-amine

Drug info:

PubChemData

Smile

C[C@@H]1CCCC[C@H]1NC(=O)C2=CC3=C(S2)C4=C(C=C(C=C4)Cl)S(=O)(=O)C3

DOS

IR

Vibrations