Geometry & MOs

Info

ID:

445450

PubChem CID:

135267133

Reduced:

SO3F7N8H35C38 (1)

Stoich.:

AB3C7D8E35F38 (1)

Weight, g/mol:

821.19857

ΔHf, kcal/mol:

-272.42

Dipole, Da:

2.76

IP(EA), eV:

 -8.76(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(1S)-1-[3-[4-chloro-3-(methanesulfonamido)-1-methylindazol-7-yl]-6-(3-hydroxy-3-methylbut-1-ynyl)pyridin-2-yl]-2-(3,5-difluorophenyl)ethyl]-2-[3-(difluoromethyl)-6,6-difluoro-5-methyl-4,5-dihydrocyclopenta[c]pyrazol-1-yl]acetamide

Drug info:

PubChemData

Smile

CN1C2=C(C=CC=C2C3=C(N=C(C=C3)C#CCN(C)C)[C@H](CC4=CC(=CC(=C4)F)F)NC(=O)CN5C6=C([C@H]7CC[C@H]7C6(F)F)C(=N5)C(F)(F)F)C(=N1)NS(=O)(=O)C

DOS

IR

Vibrations