Geometry & MOs

Info

ID:

437193

PubChem CID:

135215745

Reduced:

F3N6O6C37H45 (1)

Stoich.:

A3B6C6D37E45 (1)

Weight, g/mol:

651.18805

ΔHf, kcal/mol:

-342.35

Dipole, Da:

5.87

IP(EA), eV:

 -8.99(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[2-[(1S)-1-[[2-[4,4-difluoro-6-methyl-3-(trifluoromethyl)-6,7-dihydro-5H-indazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]pyridin-3-yl]-2-fluorobenzamide

Drug info:

PubChemData

Smile

CC(C)(CC(=O)NCCOCCN1C(=O)CCC1=O)[C@H](C2=NC(=CN2CC3=CC=CC=C3)C4=C(C=CC(=C4)F)F)N(C[C@@H]5CNC[C@@H]5F)C(=O)CO

DOS

IR

Vibrations