Geometry & MOs

Info

ID:

297203

PubChem CID:

117612875

Reduced:

FO4N7C24H24 (1)

Stoich.:

AB4C7D24E24 (1)

Weight, g/mol:

599.285617

ΔHf, kcal/mol:

-70.49

Dipole, Da:

3.23

IP(EA), eV:

 -8.84(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (2S,5S)-5-(cyanomethyl)-5-[3-[[2-[(2S)-2-methylmorpholin-4-yl]quinolin-6-yl]amino]-4-oxo-2H-pyrazolo[4,3-c]pyridin-1-yl]oxane-2-carboxylate

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=CN=C3C=CC(=NC4=C(C(=CC(=C4)OC)OC)F)N(C3=N2)CC5CC(C(=O)N5)O

DOS

IR

Vibrations