Geometry & MOs

Info

ID:

298274

PubChem CID:

117648205

Reduced:

FO2N9C26H30 (1)

Stoich.:

AB2C9D26E30 (1)

Weight, g/mol:

497.255066

ΔHf, kcal/mol:

4.2

Dipole, Da:

7.31

IP(EA), eV:

 -8.59(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(2S,3S)-3-[[5-cyano-3-fluoro-6-[(1-methylindazol-5-yl)amino]pyridin-2-yl]amino]-4-ethoxybutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)NC3=NC(=C(C=C3C#N)F)N[C@@H](CNC(=O)OC(C)(C)C)CN4C=CC=N4)C=N1

DOS

IR

Vibrations