Geometry & MOs

Info

ID:	73825
PubChem CID:	48420586
Reduced:	SO2N4H20C23 (1)
Stoich.:	AB2C4D20E23 (1)
Weight, g/mol:	366.136828
ΔH_f, kcal/mol:	48.73
Dipole, Da:	7.55
IP(EA), eV:	-9.16(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[phenyl(pyridin-4-yl)methyl] (E)-3-quinolin-8-ylprop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C=NN=C2SCC(=O)OC(C3=CC=CC=C3)C4=CC=NC=C4

DOS

IR

Vibrations