Geometry & MOs

Info

ID:	59417
PubChem CID:	24858114
Reduced:	OCl2N5H24C28 (1)
Stoich.:	AB2C5D24E28 (1)
Weight, g/mol:	992.861935
ΔH_f, kcal/mol:	108.53
Dipole, Da:	16.27
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.035892
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-methoxy-4,5-di(octadecanoyloxy)oxan-3-yl] octadecanoate

Drug info:

PubChemData

Smile

C[N+]1=CC=C(C=C1)NC2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)NC4=CC=NC5=CC=CC=C54.[Cl-].[Cl-]

DOS

IR

Vibrations