Geometry & MOs

Info

ID:

445448

PubChem CID:

135267131

Reduced:

SO5F6N7H35C38 (1)

Stoich.:

AB5C6D7E35F38 (1)

Weight, g/mol:

825.209884

ΔHf, kcal/mol:

-307.74

Dipole, Da:

6.75

IP(EA), eV:

 -8.3(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[(5Z)-5-(1-amino-2,2-difluoroethylidene)-2,2-difluoro-4-methylcyclopentylidene]amino]-N-[(1S)-1-[3-[4-chloro-3-(methanesulfinamido)-1-methylindazol-7-yl]-6-(4-fluoro-3-hydroxy-3-methylbut-1-ynyl)pyridin-2-yl]-2-(3,5-difluorophenyl)ethyl]acetamide

Drug info:

PubChemData

Smile

CC(C)(C#CC1=NC(=C(C=C1)C2=C3C(=C(C=C2)OC)C(=NN3C)NS(=O)(=O)C)C(CC4=CC(=CC(=C4)F)F)NC(=O)CN5C6=C([C@H]7C[C@H]7C6(F)F)C(=N5)C(F)F)O

DOS

IR

Vibrations