Geometry & MOs

Info

ID:	425427
PubChem CID:	135126300
Reduced:	SF2O3N5C21H21 (1)
Stoich.:	AB2C3D5E21F21 (1)
Weight, g/mol:	436.138068
ΔH_f, kcal/mol:	-81.47
Dipole, Da:	4.46
IP(EA), eV:	-9.4(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC#CCOC1=NC=C(N=C1)C(=CC2=CC(=C(C=C2)F)C3(CS(=O)(=O)N(C(=N3)N)C)C)F

DOS

IR

Vibrations