Geometry & MOs

Info

ID:	166866
PubChem CID:	74746029
Reduced:	SN3O5H19C21 (1)
Stoich.:	AB3C5D19E21 (1)
Weight, g/mol:	471.135625
ΔH_f, kcal/mol:	-21.91
Dipole, Da:	10.01
IP(EA), eV:	-8.3(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[2-[4-[2-(2-fluoroanilino)-2-oxoethoxy]-3-methoxyphenyl]ethenyl]quinoline-4-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)N(C(=NC(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-])S2)CC=C)OC

DOS

IR

Vibrations