Geometry & MOs

Info

ID:

445443

PubChem CID:

135267115

Reduced:

ON6H16C24 (1)

Stoich.:

AB6C16D24 (1)

Weight, g/mol:

872.209469

ΔHf, kcal/mol:

121.16

Dipole, Da:

6.83

IP(EA), eV:

 -8.54(-1.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(1S)-1-[3-[4-chloro-3-(methanesulfonamido)-1-methylindazol-7-yl]-5-(dimethylamino)-6-(3-hydroxy-3-methylbut-1-ynyl)pyridin-2-yl]-2-(3,5-difluorophenyl)ethyl]-2-[(2R,5S)-10-(difluoromethyl)-6,6-difluoro-8,9-diazatricyclo[5.3.0.02,5]deca-1(7),9-dien-3-yn-8-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1C#N)C2=NC3=C4C(=CN=C3C=C2)C=CC(=O)N4C5=CC=CC(=C5)N

DOS

IR

Vibrations