Geometry & MOs

Info

ID:

215453

PubChem CID:

85084756

Reduced:

NO14C51H75 (1)

Stoich.:

AB14C51D75 (1)

Weight, g/mol:

926.413397

ΔHf, kcal/mol:

-668.96

Dipole, Da:

4.3

IP(EA), eV:

 -9.04(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-amino-4-[[2-[[1-[2-[2-[[2-[[2-[(2-aminophenyl)methylamino]-3-carboxypropanoyl]amino]-3-methylpentanoyl]amino]propanoylamino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxy-3-nitrophenyl)propanoyl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC1CN(CCC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CCC5(C(C4)CCC6C5CC(C7(C6(CCC7C8=CC(=O)OC8)O)C)O)C)C)C)CCC(=O)OCC9=CC=CC=C9

DOS

IR

Vibrations