Geometry & MOs

Info

ID:

445415

PubChem CID:

135266927

Reduced:

O3N5F8H29C34 (1)

Stoich.:

A3B5C8D29E34 (1)

Weight, g/mol:

854.289434

ΔHf, kcal/mol:

-394.97

Dipole, Da:

6.98

IP(EA), eV:

 -9.68(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[(1R,4Z,5S)-4-(1-amino-2,2-difluoroethylidene)-2,2-difluoro-3-bicyclo[3.1.0]hexanylidene]amino]-N-[(1S)-1-[3-[4-chloro-1-methyl-3-[(2-pyrrolidin-1-ylacetyl)amino]indazol-7-yl]-6-(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=CC(=C(C=C2)F)C(=O)N)[C@H](CC3=CC(=CC(=C3)F)F)NC(=O)CN=C4/C(=C(/C(F)(F)F)\N)/CCC4(F)F)O

DOS

IR

Vibrations