Geometry & MOs

Info

ID:

298352

PubChem CID:

117648535

Reduced:

F2O5N7C30H37 (1)

Stoich.:

A2B5C7D30E37 (1)

Weight, g/mol:

527.240479

ΔHf, kcal/mol:

-244.15

Dipole, Da:

3.79

IP(EA), eV:

 -8.54(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]([C@@H](C1=CC=C(C=C1)OC)NC2=C(C=C(C(=N2)NC3=CC(=C(N=C3)N4CCOCC4)F)C(=O)N)F)NC(=O)OC(C)(C)C

DOS

IR

Vibrations