Geometry & MOs

Info

ID:

326944

PubChem CID:

126688743

Reduced:

O2F4N5H31C32 (1)

Stoich.:

A2B4C5D31E32 (1)

Weight, g/mol:

497.085985

ΔHf, kcal/mol:

-157.74

Dipole, Da:

8.61

IP(EA), eV:

 -9.65(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(3S,6R)-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]-2,2,2-trifluoroethanesulfonamide

Drug info:

PubChemData

Smile

C1CC1CCC(C2=CC=C(C=C2)C(=O)N)(C3=CC(=C(C=C3)F)CC(=O)C4=CC(=NN4C5=CC=CC(=C5)CN)C(F)(F)F)N

DOS

IR

Vibrations