Geometry & MOs

Info

ID:

219210

PubChem CID:

85091680

Reduced:

SO9N10C34H64 (1)

Stoich.:

AB9C10D34E64 (1)

Weight, g/mol:

799.443968

ΔHf, kcal/mol:

-472.51

Dipole, Da:

10.51

IP(EA), eV:

 -8.46(-0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[1-[[1-[[6-amino-1-[[1-(carboxymethylamino)-3-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-5-oxo-4-[[2-(pyrrolidine-2-carbonylamino)acetyl]amino]pentanoic acid

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CCSC)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CCC(=O)N)C(=O)O)NC(=O)C(CCCCN)N

DOS

IR

Vibrations