Geometry & MOs

Info

ID:

443834

PubChem CID:

135260134

Reduced:

O3F7N8H35C40 (1)

Stoich.:

A3B7C8D35E40 (1)

Weight, g/mol:

658.08144

ΔHf, kcal/mol:

-253.78

Dipole, Da:

6.7

IP(EA), eV:

 -8.48(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-bromo-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#CC1=NC(=C(C=C1)C2=CC=CC3=C2N(N=C3NC(=O)NC4CC4)C)C(CC5=CC(=CC(=C5)F)F)NC(=O)CN6C7=C([C@H]8C[C@H]8C7(F)F)C(=N6)C(F)(F)F)O

DOS

IR

Vibrations