Geometry & MOs

Info

ID:

225336

PubChem CID:

85756488

Reduced:

ON4H10C11 (1)

Stoich.:

AB4C10D11 (1)

Weight, g/mol:

651.359176

ΔHf, kcal/mol:

95.9

Dipole, Da:

4.51

IP(EA), eV:

 -9.28(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[[1-amino-3-(4-hydroxy-3-nitrophenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-2-[2-[[2-(butylamino)-3-methylbutanoyl]amino]propanoylamino]hexanamide

Drug info:

PubChemData

Smile

CC(=O)N(CC#C)C1=CC=CC=C1N=[N+]=[N-]

DOS

IR

Vibrations