Geometry & MOs

Info

ID:	394370
PubChem CID:	135022865
Reduced:	N6O8C35H42 (1)
Stoich.:	A6B8C35D42 (1)
Weight, g/mol:	408.287574
ΔH_f, kcal/mol:	-234.65
Dipole, Da:	8.55
IP(EA), eV:	-8.85(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl (10E,12E)-9-oxooctadeca-10,12-dienoate

Drug info:

PubChemData

Smile

CCOC(=O)NN(C1CC=C[C@@H]1C2=CC=CC(=C2C3=NC4=CC=CC=C4N3)C5C=CCC5N(C(=O)OCC)NC(=O)OCC)C(=O)OCC

DOS

IR

Vibrations