Geometry & MOs

Info

ID:	190055
PubChem CID:	77945855
Reduced:	ON5C22H33 (1)
Stoich.:	AB5C22D33 (1)
Weight, g/mol:	856.736735
ΔH_f, kcal/mol:	-5.02
Dipole, Da:	4.75
IP(EA), eV:	-7.56(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4,5-dihydroxy-6-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]octadecan-3-yl] 2-methylpentacosanoate

Drug info:

PubChemData

Smile

CC(C)CN1CCC(=CNC2=CC=C(C=C2)N3CCN(C3=O)C)C(=NC)CC1

DOS

IR

Vibrations