Geometry & MOs

Info

ID:	237003
PubChem CID:	92716740
Reduced:	ClFN2S2O3H18C19 (1)
Stoich.:	ABC2D2E3F18G19 (1)
Weight, g/mol:	440.043141
ΔH_f, kcal/mol:	-90.5
Dipole, Da:	7.58
IP(EA), eV:	-8.59(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N(CC2=C(C=CC=C2Cl)F)C3=N[C@@H]4CS(=O)(=O)C[C@H]4S3

DOS

IR

Vibrations