Geometry & MOs

Info

ID:

298064

PubChem CID:

117647426

Reduced:

FO2N3C12H16 (2)

Stoich.:

AB2C3D12E16 (2)

Weight, g/mol:

532.211343

ΔHf, kcal/mol:

-219.43

Dipole, Da:

5.92

IP(EA), eV:

 -8.62(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(2S,3R)-3-[[5-carbamoyl-6-[[5-(4-chloropyrazol-1-yl)pyridin-3-yl]amino]-3-fluoropyridin-2-yl]amino]pentan-2-yl]carbamate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations