Geometry & MOs

Info

ID:	218329
PubChem CID:	85089181
Reduced:	N2O3C28H36 (1)
Stoich.:	A2B3C28D36 (1)
Weight, g/mol:	448.260708
ΔH_f, kcal/mol:	-134.02
Dipole, Da:	3.81
IP(EA), eV:	-8.73(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methyl-1-(3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl)propyl]-4-pentoxypiperidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)C(CC1CCCCC1)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

DOS

IR

Vibrations