Geometry & MOs

Info

ID:	149579
PubChem CID:	53789253
Reduced:	NO3H17C18 (1)
Stoich.:	AB3C17D18 (1)
Weight, g/mol:	438.165484
ΔH_f, kcal/mol:	-93.8
Dipole, Da:	8.77
IP(EA), eV:	-8.9(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-[(2R)-3,5-dioxo-4-phosphonooxyoxolan-2-yl]-2-hydroxyethyl] dodecanoate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N2CCCC2=O)C3=CC=CC=C3C(=O)O

DOS

IR

Vibrations