Geometry & MOs

Info

ID:

436522

PubChem CID:

135204807

Reduced:

FO3N8C26H29 (1)

Stoich.:

AB3C8D26E29 (1)

Weight, g/mol:

568.234665

ΔHf, kcal/mol:

-37.69

Dipole, Da:

2.69

IP(EA), eV:

 -8.74(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[4-[3-[[(3R)-1-(dimethylcarbamoyl)pyrrolidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]-2-fluorophenyl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CC[C@@H](C1)NC2=NNC3=NC=CC(=C32)C4=CC(=C(C=C4)CNC(=O)C5=NC(=NO5)C(C)(C)C)F

DOS

IR

Vibrations