Geometry & MOs

Info

ID:	425101
PubChem CID:	135125172
Reduced:	ClN2O2H5C6 (1)
Stoich.:	AB2C2D5E6 (1)
Weight, g/mol:	458.079109
ΔH_f, kcal/mol:	-26.71
Dipole, Da:	5.49
IP(EA), eV:	-9.53(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-[2-(5-chloropyrazin-2-yl)-2-fluoroethenyl]-2-fluorophenyl]-3-(fluoromethyl)-6,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine

Drug info:

PubChemData

Smile

C1COC2=NC(=NC=C2O1)Cl

DOS

IR

Vibrations