Geometry & MOs

Info

ID:

425408

PubChem CID:

135126210

Reduced:

SF2O4N5H31C33 (1)

Stoich.:

AB2C4D5E31F33 (1)

Weight, g/mol:

570.114888

ΔHf, kcal/mol:

-99.18

Dipole, Da:

4.08

IP(EA), eV:

 -9.25(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(4aR,5R,7aR)-7a-[5-[(Z)-2-(5-cyanopyridin-2-yl)-2-fluoroethenyl]-2-fluorophenyl]-5-(trifluoromethyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-yl]benzamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C[C@H]2CSC(=N[C@]2(C1)C3=C(C=CC(=C3)/C=C(/C4=CN=C(C=N4)OCC#C)\F)F)NC(=O)C5=CC=CC=C5

DOS

IR

Vibrations