Geometry & MOs

Info

ID:

325628

PubChem CID:

126684235

Reduced:

N5O16C49H93 (1)

Stoich.:

A5B16C49D93 (1)

Weight, g/mol:

826.30475

ΔHf, kcal/mol:

-797.55

Dipole, Da:

4.41

IP(EA), eV:

 -9.33(0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-[[(1S)-4-[[(5S)-5-[[(2S)-2-acetamidopropanoyl]sulfanylamino]-6-iodo-6-oxohexyl]amino]-1-carboxy-4-oxobutyl]amino]-18-oxooctadecanoic acid

Drug info:

PubChemData

Smile

CCOCCOCCNC(=O)COCCOCCNC(=O)COCCOCCNCCOCCOCCNC(=O)CC[C@@H](C(=O)O)NC(=O)CCCCCCCCCCCCCCCCCCC(=O)O

DOS

IR

Vibrations