Geometry & MOs

Info

ID:	38167
PubChem CID:	8027630
Reduced:	ClNO3H20C22 (1)
Stoich.:	ABC3D20E22 (1)
Weight, g/mol:	304.015176
ΔH_f, kcal/mol:	-77.16
Dipole, Da:	2.63
IP(EA), eV:	-8.94(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,6aS)-3-(2,4-difluorophenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-imine

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1)N2CC3=C4C(=CC(=C3OC2)Cl)C5=C(CCC5)C(=O)O4

DOS

IR

Vibrations