Geometry & MOs

Info

ID:

445511

PubChem CID:

135267505

Reduced:

PF4O4N5C28H34 (1)

Stoich.:

AB4C4D5E28F34 (1)

Weight, g/mol:

816.183255

ΔHf, kcal/mol:

-339.42

Dipole, Da:

4.8

IP(EA), eV:

 -8.85(-1.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(1S)-1-[3-[5-chloro-3-(methanesulfonamido)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-6-(3,3-dimethylbut-1-ynyl)pyridin-2-yl]-2-(3,5-difluorophenyl)ethyl]-2-[(2S,5R)-10-(difluoromethyl)-6,6-difluoro-8,9-diazatricyclo[5.3.0.02,5]deca-1(7),3,9-trien-8-yl]acetamide

Drug info:

PubChemData

Smile

CCCC(CCC)NC(=O)C1=CC(=C(C=C1F)NC2=NC=C(C(=N2)OC3=CC=CC=C3N(C)P(C)O)C(F)(F)F)OC

DOS

IR

Vibrations