Geometry & MOs

Info

ID:

445472

PubChem CID:

135267253

Reduced:

ClO2F5N7H31C35 (1)

Stoich.:

AB2C5D7E31F35 (1)

Weight, g/mol:

705.248679

ΔHf, kcal/mol:

-153.15

Dipole, Da:

11.33

IP(EA), eV:

 -8.4(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-(3-amino-1-methylindazol-7-yl)-6-(3-hydroxy-3-methylbut-1-ynyl)pyridin-2-yl]-2-(3,5-difluorophenyl)ethyl]-2-[8-(trifluoromethyl)-6-oxa-9,10-diazatricyclo[5.3.0.02,4]deca-1(7),8-dien-10-yl]acetamide

Drug info:

PubChemData

Smile

CC(C)(C#CC1=NC(=C(C=C1)C2=C3C(=C(C=C2)Cl)C(=NN3C)N)[C@H](CC4=CC(=CC(=C4)F)F)NC(=O)CN5C(=CC(=N5)C(F)(F)F)C6CC6)O

DOS

IR

Vibrations