Geometry & MOs

Info

ID:

326912

PubChem CID:

126688644

Reduced:

F3N4O4C25H25 (1)

Stoich.:

A3B4C4D25E25 (1)

Weight, g/mol:

546.221827

ΔHf, kcal/mol:

-266.06

Dipole, Da:

10.01

IP(EA), eV:

 -9.02(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 4-[4-[[4-[[(3R,6S)-6-azido-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]-5-chloropyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C1CCC(C1)(CN2C3=C(C=C(C=C3)N4CCCOC4=O)N=C2NC(=O)C5=CC(=CC=C5)C(F)(F)F)O

DOS

IR

Vibrations