Geometry & MOs

Info

ID:

443843

PubChem CID:

135260150

Reduced:

ClO3N6F7H26C37 (1)

Stoich.:

AB3C6D7E26F37 (1)

Weight, g/mol:

732.239591

ΔHf, kcal/mol:

-239.33

Dipole, Da:

2.13

IP(EA), eV:

 -9.08(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-(3-amino-4-cyano-1-methylindazol-7-yl)-6-(3-hydroxy-3-methylbut-1-ynyl)pyridin-2-yl]-2-(3,5-difluorophenyl)ethyl]-2-[(2S,4R)-9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide

Drug info:

PubChemData

Smile

CC(C)(C#CC1=NC(=C(C=C1)C2=CC=CC3=C2OC4=C(NN=C34)Cl)C(CC5=CC(=CC(=C5)F)F)NC(=O)CN6C7=C([C@H]8C[C@H]8C7(F)F)C(=N6)C(F)(F)F)O

DOS

IR

Vibrations