Geometry & MOs

Info

ID:

443835

PubChem CID:

135260135

Reduced:

BrO2N4F7H22C28 (1)

Stoich.:

AB2C4D7E22F28 (1)

Weight, g/mol:

704.178214

ΔHf, kcal/mol:

-289.27

Dipole, Da:

8.66

IP(EA), eV:

 -9.87(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3,6-bis(2-oxo-1H-pyridin-4-yl)pyridin-2-yl]-2-(3,5-difluorophenyl)ethyl]-2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]acetamide

Drug info:

PubChemData

Smile

CC(C)(C#CC1=NC(=C(C=C1)Br)C(CC2=CC(=CC(=C2)F)F)NC(=O)CN3C4=C([C@H]5C[C@H]5C4(F)F)C(=N3)C(F)(F)F)O

DOS

IR

Vibrations