Geometry & MOs

Info

ID:	164175
PubChem CID:	74382188
Reduced:	FIN2O6H28C32 (1)
Stoich.:	ABC2D6E28F32 (1)
Weight, g/mol:	843.716334
ΔH_f, kcal/mol:	-179.86
Dipole, Da:	5.86
IP(EA), eV:	-9.13(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3,4-dihydroxy-16-methyl-1-[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxyheptadecan-2-yl]-2-hydroxytetracosanamide

Drug info:

PubChemData

Smile

CCNC(=O)C1=CC(C(C(C1)N(CC2=CC=C(C=C2)F)C(=O)C3=CC4=CC=CC=C4OC3=O)O)OC5=CC=CC=C5I

DOS

IR

Vibrations