Geometry & MOs

Info

ID:	237002
PubChem CID:	92716736
Reduced:	NOSC8H11 (2)
Stoich.:	ABCD8E11 (2)
Weight, g/mol:	440.043141
ΔH_f, kcal/mol:	-55.32
Dipole, Da:	6.46
IP(EA), eV:	-8.88(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,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

CCCN(C1=CC(=CC(=C1)C)C)C2=N[C@@H]3CS(=O)(=O)C[C@H]3S2

DOS

IR

Vibrations