Geometry & MOs

Info

ID:

164663

PubChem CID:

74434439

Reduced:

O7H14C15 (1)

Stoich.:

A7B14C15 (1)

Weight, g/mol:

810.557876

ΔHf, kcal/mol:

-267.81

Dipole, Da:

1.92

IP(EA), eV:

 -9.0(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[2-[[2-[[2-[(2-amino-3-methylpentanoyl)amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]propanoylamino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoic acid

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1O)C=CC(C2=C(C=C(C=C2O)O)O)O)O)O

DOS

IR

Vibrations