Geometry & MOs

Info

ID:

317469

PubChem CID:

126638271

Reduced:

IN4O8C24H33 (1)

Stoich.:

AB4C8D24E33 (1)

Weight, g/mol:

958.511045

ΔHf, kcal/mol:

-318.96

Dipole, Da:

3.3

IP(EA), eV:

 -9.11(-1.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

16-[[(1S)-1-carboxy-4-[[(1S)-1-carboxy-4-[[(1S)-1-carboxy-4-[[(1S)-1-carboxy-4-[[(5S)-5-carboxy-5-(ethylamino)pentyl]amino]-4-oxobutyl]amino]-4-oxobutyl]amino]-4-oxobutyl]amino]-4-oxobutyl]amino]-16-oxohexadecanoic acid

Drug info:

PubChemData

Smile

CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)N3C(=CC4=C3N=CN=C4N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)I)CO)C

DOS

IR

Vibrations