Geometry & MOs

Info

ID:

298062

PubChem CID:

117647424

Reduced:

FO3N6C23H31 (1)

Stoich.:

AB3C6D23E31 (1)

Weight, g/mol:

476.234745

ΔHf, kcal/mol:

-140.16

Dipole, Da:

3.34

IP(EA), eV:

 -8.59(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations