Geometry & MOs

Info

ID:

56975

PubChem CID:

22395165

Reduced:

ZnC6H15 (1)

Stoich.:

AB6C15 (1)

Weight, g/mol:

1289.713207

ΔHf, kcal/mol:

78.53

Dipole, Da:

1.43

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 1.762782

Charge, e:

0

Chem-info

IUPAC name:

5-[[1-[[1-[[4-amino-1-[[1-[[1-[[1-[(1-carboxy-2-hydroxypropyl)amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-[[2-[(2-amino-3-methylpentanoyl)amino]-3-methylbutanoyl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

C[CH2-].C[CH2-].C[CH2-].[Zn+2]

DOS

IR

Vibrations