Geometry & MOs

Info

ID:

298061

PubChem CID:

117647422

Reduced:

FO4N5C25H32 (1)

Stoich.:

AB4C5D25E32 (1)

Weight, g/mol:

458.244167

ΔHf, kcal/mol:

-189.06

Dipole, Da:

1.45

IP(EA), eV:

 -8.55(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations