Geometry & MOs

Info

ID:

47386

PubChem CID:

10532148

Reduced:

N5O5C37H43 (1)

Stoich.:

A5B5C37D43 (1)

Weight, g/mol:

637.440112

ΔHf, kcal/mol:

-166.38

Dipole, Da:

5.19

IP(EA), eV:

 -8.69(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-octyl-N-[(2S,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexyl]dodecanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)NCC(=O)N(CC(=O)N(C)C2=CC=CC=C2)C3=CC(=CC=C3)OCC(=O)NC45CC6CC(C4)CC(C6)C5

DOS

IR

Vibrations