Geometry & MOs

Info

ID:

314493

PubChem CID:

126621930

Reduced:

ClSO2N5C18H20 (1)

Stoich.:

ABC2D5E18F20 (1)

Weight, g/mol:

500.197217

ΔHf, kcal/mol:

14.81

Dipole, Da:

3.32

IP(EA), eV:

 -8.78(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(5-fluoro-1H-indol-4-yl)-6-morpholin-4-yl-12-[[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

Drug info:

PubChemData

Smile

COC1CN(C1)CC2=CC3=C(N=C2)SC4=C3N=C(N=C4N5CCOCC5)Cl

DOS

IR

Vibrations