Geometry & MOs

Info

ID:	67935
PubChem CID:	46507466
Reduced:	SO2N4H22C23 (1)
Stoich.:	AB2C4D22E23 (1)
Weight, g/mol:	326.106671
ΔH_f, kcal/mol:	67.11
Dipole, Da:	6.32
IP(EA), eV:	-8.87(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[6-amino-2-(4-fluorophenyl)quinolin-4-yl]oxyacetate

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1)C2=NOC(=N2)CSC3=NN=C(C=C3)C4=CC(=C(C=C4)C)C

DOS

IR

Vibrations