Geometry & MOs

Info

ID:

443837

PubChem CID:

135260142

Reduced:

SF2O5N7C36H43 (1)

Stoich.:

AB2C5D7E36F43 (1)

Weight, g/mol:

852.184398

ΔHf, kcal/mol:

-170.01

Dipole, Da:

1.47

IP(EA), eV:

 -8.75(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[5-amino-3-[4-chloro-3-(methanesulfonamido)-1-methylindazol-7-yl]-6-(3-hydroxy-3-methylbut-1-ynyl)pyridin-2-yl]-2-(3,5-difluorophenyl)ethyl]-2-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide

Drug info:

PubChemData

Smile

CC(C)(C)N(C(CC1=CC(=CC(=C1)F)F)C2=C(C=CC(=N2)C#CC(C)(C)O)C3=CC=CC4=C3N(N=C4NS(=O)(=O)N5CCN(CC5)C)C)C(=O)O

DOS

IR

Vibrations