Geometry & MOs

Info

ID:

80116

PubChem CID:

49833057

Reduced:

SF3N8H29C35 (1)

Stoich.:

AB3C8D29E35 (1)

Weight, g/mol:

496.233522

ΔHf, kcal/mol:

35.35

Dipole, Da:

6.76

IP(EA), eV:

 -8.62(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-[2-(ethylamino)pyrimidin-5-yl]-1-[6-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methylpyridin-3-yl]-3-methylimidazo[4,5-c]quinolin-2-one

Drug info:

PubChemData

Smile

C1CCN(C1)CC2=CC=CC=C2NC3=NC=CC(=N3)C4=C(N=C5N4C=CS5)C6=CC7=C(C=C6)N=C(N7)CC8=CC=CC=C8C(F)(F)F

DOS

IR

Vibrations