Geometry & MOs

Info

ID:

425503

PubChem CID:

135126560

Reduced:

OF3N6H17C19 (1)

Stoich.:

AB3C6D17E19 (1)

Weight, g/mol:

500.049701

ΔHf, kcal/mol:

-81.34

Dipole, Da:

4.99

IP(EA), eV:

 -9.64(-1.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[(Z)-2-[3-[(4aS,5S,7aS)-2-amino-5-(trifluoromethyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-7a-yl]-4-fluorophenyl]-1-fluoroethenyl]-5-chloropyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(N=NC2=C1C=C(C=C2)C(=O)NC3CN(C3)C4=NC=C(N=C4)C(F)(F)F)C

DOS

IR

Vibrations