Geometry & MOs

Info

ID:

298059

PubChem CID:

117647416

Reduced:

FO3N5C24H34 (1)

Stoich.:

AB3C5D24E34 (1)

Weight, g/mol:

510.250315

ΔHf, kcal/mol:

-185.51

Dipole, Da:

4.28

IP(EA), eV:

 -8.42(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)NC1=C(C=C(C(=N1)NC2=CC(=C(C=C2)C)C)C(=O)N)F

DOS

IR

Vibrations