Geometry & MOs

Info

ID:

445462

PubChem CID:

135267151

Reduced:

ON2C8H11 (2)

Stoich.:

AB2C8D11 (2)

Weight, g/mol:

737.204843

ΔHf, kcal/mol:

-30.82

Dipole, Da:

4.02

IP(EA), eV:

 -8.14(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[2-[(1S)-1-[[2-[6,6-difluoro-5-methyl-3-(trifluoromethyl)-4,5-dihydrocyclopenta[c]pyrazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-6-(3-hydroxy-3-methylbut-1-ynyl)pyridin-3-yl]-2,3-difluorobenzamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=CC2=C1N(N=C2NC(=O)N3CCOCC3)C

DOS

IR

Vibrations