Geometry & MOs

Info

ID:

132363

PubChem CID:

51349154

Reduced:

NO3C22H27 (1)

Stoich.:

AB3C22D27 (1)

Weight, g/mol:

844.442945

ΔHf, kcal/mol:

-104.91

Dipole, Da:

6.72

IP(EA), eV:

 -8.69(-0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

propyl 6-[[2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoyl]amino]-2-[[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]amino]-3-hydroxy-2-(hydroxymethyl)hexanoate

Drug info:

PubChemData

Smile

CCC1CC(N(C1)C2=CC=C(C=C2)OCC3=CC=CC=C3C)CC(=O)O

DOS

IR

Vibrations