Geometry & MOs

Info

ID:

176704

PubChem CID:

76084428

Reduced:

N5O8C43H63 (1)

Stoich.:

A5B8C43D63 (1)

Weight, g/mol:

394.111126

ΔHf, kcal/mol:

-367.81

Dipole, Da:

10.47

IP(EA), eV:

 -8.82(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[3,5-dioxo-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]-2-hydroxyethyl] propanoate

Drug info:

PubChemData

Smile

CC(C)CC(C1COC2=C1C=C(C=C2)CNCC(=O)O)(C(=O)NC(CC3CCCCC3)C(CC(=O)NCC(C)C)O)N(C(=O)C)C(=O)C(CC4=CC=CC=C4)N

DOS

IR

Vibrations