Geometry & MOs

Info

ID:

180796

PubChem CID:

76686849

Reduced:

N7O10C49H83 (1)

Stoich.:

A7B10C49D83 (1)

Weight, g/mol:

1207.758032

ΔHf, kcal/mol:

-529.41

Dipole, Da:

6.14

IP(EA), eV:

 -9.16(-0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11-amino-7-[[2-[3-(diaminomethylideneamino)propyl]-5-[[5-[[5-[[2-(hexadecanoylamino)-3-hydroxypropanoyl]amino]-2-(hydroxymethyl)-4-oxopentanoyl]amino]-2-(1H-imidazol-5-ylmethyl)-4-oxopentanoyl]amino]-4-oxo-6-phenylhexanoyl]amino]-4-methyl-6-oxoundecanoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)NC(C(C)O)C(=O)NC(C(C)C)C(=O)CC(CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N)C(=O)CC(CO)C(=O)NC(CO)C(=O)C

DOS

IR

Vibrations