Geometry & MOs

Info

ID:

445479

PubChem CID:

135267273

Reduced:

F3N5H18C26 (1)

Stoich.:

A3B5C18D26 (1)

Weight, g/mol:

851.189149

ΔHf, kcal/mol:

17.67

Dipole, Da:

3.27

IP(EA), eV:

 -8.25(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(1S)-1-[3-[4-chloro-3-(methanesulfonamido)-1-methylindazol-7-yl]-6-(4-fluoro-3-hydroxy-3-methylbut-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),9-dien-8-yl]acetamide

Drug info:

PubChemData

Smile

CC1=NC=C(C=N1)C2=NC3=C4C(=CN=C3C=C2)C=CC(=C5CC5)N4C6=CC=CC(=C6)C(F)(F)F

DOS

IR

Vibrations