Geometry & MOs

Info

ID:

298066

PubChem CID:

117647435

Reduced:

FO3N8C27H35 (1)

Stoich.:

AB3C8D27E35 (1)

Weight, g/mol:

526.24523

ΔHf, kcal/mol:

-102.34

Dipole, Da:

8.88

IP(EA), eV:

 -8.93(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(3R,4R)-4-[[5-carbamoyl-3-fluoro-6-[[5-(4-methylpyrazol-1-yl)pyridin-3-yl]amino]pyridin-2-yl]amino]oxan-3-yl]carbamate

Drug info:

PubChemData

Smile

CC1=CN(N=C1)C2=CN=CC(=C2)NC3=NC(=C(C=C3C(=O)N)F)N[C@H](C4CCC4)[C@H](C)NC(=O)OC(C)(C)C

DOS

IR

Vibrations