Geometry & MOs

Info

ID:	218241
PubChem CID:	85089076
Reduced:	NO7C24H27 (1)
Stoich.:	AB7C24D27 (1)
Weight, g/mol:	441.215138
ΔH_f, kcal/mol:	-272.12
Dipole, Da:	5.85
IP(EA), eV:	-8.97(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-O-(2,5-dioxopyrrolidin-1-yl) 1-O-heptadeca-1,9-dien-4,6-diyn-3-yl butanedioate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(COCC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)C(=O)O

DOS

IR

Vibrations