Geometry & MOs

Info

ID:	234296
PubChem CID:	92298119
Reduced:	SN2O5H20C21 (1)
Stoich.:	AB2C5D20E21 (1)
Weight, g/mol:	391.055754
ΔH_f, kcal/mol:	-118.03
Dipole, Da:	3.38
IP(EA), eV:	-8.63(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R)-N-(2-chlorophenyl)-2-(3-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide

Drug info:

PubChemData

Smile

CN1C(=O)/C(=C/C2=C(C=CC(=C2)OC)OC)/SC1=NC3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations