Geometry & MOs

Info

ID:	425094
PubChem CID:	135125157
Reduced:	IOF2N2C7H7 (1)
Stoich.:	ABC2D2E7F7 (1)
Weight, g/mol:	488.169368
ΔH_f, kcal/mol:	-89.15
Dipole, Da:	2.95
IP(EA), eV:	-9.85(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-[2-fluoro-5-[(Z)-2-fluoro-2-(5-pent-1-yn-3-yloxypyrazin-2-yl)ethenyl]phenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine

Drug info:

PubChemData

Smile

COC1=NC=C(N=C1)C(CI)(F)F

DOS

IR

Vibrations