Geometry & MOs

Info

ID:	307571
PubChem CID:	125307545
Reduced:	SO2N5C20H27 (1)
Stoich.:	AB2C5D20E27 (1)
Weight, g/mol:	583.444803
ΔH_f, kcal/mol:	-51.42
Dipole, Da:	3.59
IP(EA), eV:	-8.85(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-O-[(E,2R,3S)-3-hydroxy-2-(octanoylamino)octadec-4-enyl] 1-O-(2-methoxyethyl) butanedioate

Drug info:

PubChemData

Smile

C[C@@H](C1=NC2=CC=CC=C2N1C)NC(=O)CCCC[C@H]3[C@H]4[C@H](CS3)NC(=O)N4

DOS

IR

Vibrations