Geometry & MOs

Info

ID:

298026

PubChem CID:

117647264

Reduced:

FO2N7C26H32 (1)

Stoich.:

AB2C7D26E32 (1)

Weight, g/mol:

529.236142

ΔHf, kcal/mol:

-35.26

Dipole, Da:

7.99

IP(EA), eV:

 -8.45(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(1S,2R)-2-[[5-carbamoyl-3-fluoro-6-[[5-fluoro-6-(triazol-1-yl)pyridin-3-yl]amino]pyridin-2-yl]amino]cyclohexyl]carbamate

Drug info:

PubChemData

Smile

CC[C@@H]([C@@H](C1CC1)NC2=C(C=C(C(=N2)NC3=C4C=NN(C4=CC=C3)C)C#N)F)NC(=O)OC(C)(C)C

DOS

IR

Vibrations