Geometry & MOs

Info

ID:	229713
PubChem CID:	87568614
Reduced:	FNO6C28H30 (1)
Stoich.:	ABC6D28E30 (1)
Weight, g/mol:	338.126657
ΔH_f, kcal/mol:	-216.48
Dipole, Da:	4.89
IP(EA), eV:	-8.79(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(1Z)-1-(2-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene)ethyl]amino]-3-(1H-indol-3-yl)propanoic acid

Drug info:

PubChemData

Smile

COC(CNCC(COC1=CC=C(C=C1)/C=C(/C2=CC=CC=C2F)\C(=O)OC)O)OC3=CC=CC=C3

DOS

IR

Vibrations