Geometry & MOs

Info

ID:

445515

PubChem CID:

135267514

Reduced:

ON3F5H8C11 (1)

Stoich.:

AB3C5D8E11 (1)

Weight, g/mol:

825.234349

ΔHf, kcal/mol:

-157.15

Dipole, Da:

5.55

IP(EA), eV:

 -8.93(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(1S)-2-(3,5-difluorocyclohexa-1,3-dien-1-yl)-1-[6-(3-hydroxy-3-methylbut-1-ynyl)-3-[3-(methanesulfonamido)-1-methylindazol-7-yl]pyridin-2-yl]ethyl]-2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]acetamide

Drug info:

PubChemData

Smile

C1#C[C@@H]2[C@H]1/C(=C(\C(F)(F)F)/N)/C(=NCC(=O)N)C2(F)F

DOS

IR

Vibrations