Geometry & MOs

Info

ID:

425298

PubChem CID:

135125863

Reduced:

SF2O4N7C21H21 (1)

Stoich.:

AB2C4D7E21F21 (1)

Weight, g/mol:

458.079109

ΔHf, kcal/mol:

-104.95

Dipole, Da:

6.59

IP(EA), eV:

 -9.3(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R)-3-[5-[(Z)-2-(5-chloropyrazin-2-yl)-2-fluoroethenyl]-2,3-difluorophenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine

Drug info:

PubChemData

Smile

CC1=NN=C(O1)COC2=NC=C(N=C2)/C(=C/C3=CC(=C(C=C3)F)[C@@]4(CS(=O)(=O)N(C(=N4)N)C)C)/F

DOS

IR

Vibrations