Geometry & MOs

Info

ID:

443841

PubChem CID:

135260147

Reduced:

SO4F6N8H32C36 (1)

Stoich.:

AB4C6D8E32F36 (1)

Weight, g/mol:

783.215935

ΔHf, kcal/mol:

-246.24

Dipole, Da:

6.83

IP(EA), eV:

 -8.61(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-(3-acetamido-4-chloro-1-methylindazol-7-yl)-6-(3-hydroxy-3-methylbut-1-ynyl)pyridin-2-yl]-2-(3,5-difluorophenyl)ethyl]-2-[(2S,4R)-9-(difluoromethyl)-5,5-difluoro-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=C3NS(=O)(=O)N)C)C(CC4=CC(=CC(=C4)F)F)NC(=O)CN5C6=C([C@H]7C[C@H]7C6(F)F)C(=N5)C(F)F)O

DOS

IR

Vibrations