Geometry & MOs

Info

ID:

446507

PubChem CID:

135275539

Reduced:

O3N4C31H38 (1)

Stoich.:

A3B4C31D38 (1)

Weight, g/mol:

813.226499

ΔHf, kcal/mol:

-88.06

Dipole, Da:

7.67

IP(EA), eV:

 -8.27(-0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(C1=C(C(=C(C=C1)C(CC(=O)O)C2=CC3=C(CCN(C3)C(=O)C4=CC(=CC(=C4C)C)C)C=C2)C)N)N

DOS

IR

Vibrations