Geometry & MOs

Info

ID:	425211
PubChem CID:	135125534
Reduced:	FNO2C11H14 (1)
Stoich.:	ABC2D11E14 (1)
Weight, g/mol:	478.128646
ΔH_f, kcal/mol:	-114.05
Dipole, Da:	1.75
IP(EA), eV:	-9.41(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-fluoro-5-[2-fluoro-2-(5-prop-2-ynoxypyrazin-2-yl)ethenyl]phenyl]-3-(fluoromethyl)-6,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine

Drug info:

PubChemData

Smile

CCOC1=NC=CC(=C1)C2(CC(C2)O)F

DOS

IR

Vibrations