Geometry & MOs

Info

ID:

326941

PubChem CID:

126688737

Reduced:

O2F3N5H20C27 (1)

Stoich.:

A2B3C5D20E27 (1)

Weight, g/mol:

499.140466

ΔHf, kcal/mol:

-67.0

Dipole, Da:

4.96

IP(EA), eV:

 -9.56(-1.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(3R,6S)-3-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-1-(oxolan-3-yl)methanesulfonamide

Drug info:

PubChemData

Smile

C1CC1C2=CC(=CC(=C2)NC(=O)C3=CC(=NN3C4=CC=CC(=C4)C#N)C(F)(F)F)C(C5=CN=CC=C5)O

DOS

IR

Vibrations