Geometry & MOs

Info

ID:

319823

PubChem CID:

126657357

Reduced:

SF4N6O8C38H40 (1)

Stoich.:

AB4C6D8E38F40 (1)

Weight, g/mol:

584.234745

ΔHf, kcal/mol:

-413.95

Dipole, Da:

10.46

IP(EA), eV:

 -8.51(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3-fluoroazetidin-1-yl)-[4-[[6-[4-[[(2R)-2-(4-fluorophenyl)-1-hydroxypropyl]amino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3-methoxyphenyl]methanone

Drug info:

PubChemData

Smile

C[C@H](C1=CC=C(C=C1)F)C(NC2=CC=C(C=C2)C3=CN4C(=NC(=N4)N(C5=C(C=C(C=C5)S(=O)(=O)C)OCC(F)(F)F)C(=O)OCOC(=O)[C@H](C(C)(C)C)N)C=C3)O

DOS

IR

Vibrations