Geometry & MOs

Info

ID:

298027

PubChem CID:

117647302

Reduced:

F2O3N9C24H29 (1)

Stoich.:

A2B3C9D24E29 (1)

Weight, g/mol:

557.287429

ΔHf, kcal/mol:

-133.49

Dipole, Da:

10.16

IP(EA), eV:

 -8.86(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1NC2=C(C=C(C(=N2)NC3=CC(=C(N=C3)N4C=CN=N4)F)C(=O)N)F

DOS

IR

Vibrations