Geometry & MOs

Info

ID:

326924

PubChem CID:

126688689

Reduced:

ClO3N6C14H17 (1)

Stoich.:

AB3C6D14E17 (1)

Weight, g/mol:

499.140466

ΔHf, kcal/mol:

-47.54

Dipole, Da:

4.92

IP(EA), eV:

 -8.5(-0.49)

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-2-yl)methanesulfonamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)NC2=NC=C(C(=N2)N[C@H]3COC4C3OC[C@@H]4O)Cl

DOS

IR

Vibrations