Geometry & MOs

Info

ID:

442311

PubChem CID:

135251261

Reduced:

O5N8C27H32 (1)

Stoich.:

A5B8C27D32 (1)

Weight, g/mol:

533.232142

ΔHf, kcal/mol:

-81.93

Dipole, Da:

3.86

IP(EA), eV:

 -8.48(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-(5-cyclopropyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(CN1C=C(C=N1)C2=NC(=CC=C2)C(=O)NC3=CC4=C(N=C3N5CC[C@H](C5)O)N=C(O4)N6CCOCC6)O

DOS

IR

Vibrations