Geometry & MOs

Info

ID:	219481
PubChem CID:	85148741
Reduced:	SF2N2O4C27H28 (1)
Stoich.:	AB2C2D4E27F28 (1)
Weight, g/mol:	514.258006
ΔH_f, kcal/mol:	-172.89
Dipole, Da:	5.83
IP(EA), eV:	-8.88(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[3-[2-[6-(methoxyiminomethyl)-2-oxo-1H-indol-3-ylidene]-4aH-quinolin-6-yl]propyl]piperidin-4-yl]propanoic acid

Drug info:

PubChemData

Smile

CC12CC3=C(C=C1CCCC2C(C4=CC(=C(C=C4)F)OCS(=O)(=O)C)O)N(N=C3)C5=CC=C(C=C5)F

DOS

IR

Vibrations