Geometry & MOs

Info

ID:

425414

PubChem CID:

135126244

Reduced:

ClF2N2O2H7C8 (1)

Stoich.:

AB2C2D2E7F8 (1)

Weight, g/mol:

644.037816

ΔHf, kcal/mol:

-165.88

Dipole, Da:

4.31

IP(EA), eV:

 -10.41(-1.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(4aS,5S,7aS)-7a-[5-[(Z)-2-(5-chloropyrazin-2-yl)-2-fluoroethenyl]-2-fluorophenyl]-5-(trifluoromethylsulfonyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-yl]benzamide

Drug info:

PubChemData

Smile

C1=C(C=NC(=C1Cl)C(CO)(F)F)C(=O)N

DOS

IR

Vibrations