Geometry & MOs

Info

ID:

298384

PubChem CID:

117648766

Reduced:

FO2N8C22H27 (1)

Stoich.:

AB2C8D22E27 (1)

Weight, g/mol:

607.291846

ΔHf, kcal/mol:

-18.92

Dipole, Da:

3.07

IP(EA), eV:

 -8.34(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(1R,2S)-1-[[5-carbamoyl-3-fluoro-6-[[1-(2-methoxyethyl)indazol-5-yl]amino]pyridin-2-yl]amino]-1-(4-methoxyphenyl)propan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=N1)NC2=NC(=C(C=C2C(=O)N)F)NC(C3CC3)[C@H](C)N)N4C=CC=N4

DOS

IR

Vibrations