Geometry & MOs

Info

ID:

325627

PubChem CID:

126684229

Reduced:

N3O3C30H31 (1)

Stoich.:

A3B3C30D31 (1)

Weight, g/mol:

1007.661732

ΔHf, kcal/mol:

-38.63

Dipole, Da:

6.61

IP(EA), eV:

 -8.43(0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

20-[[(1S)-1-carboxy-4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]-4-oxobutyl]amino]-20-oxoicosanoic acid

Drug info:

PubChemData

Smile

CCC1=C(C1C(=O)NC2=CC=C(C=C2)C(C3=CC=C(C=C3)NC(=O)C)C4=CC=C(C=C4)NC(=O)C)C

DOS

IR

Vibrations