Geometry & MOs

Info

ID:

215370

PubChem CID:

85084631

Reduced:

O4C11H17 (4)

Stoich.:

A4B11C17 (4)

Weight, g/mol:

854.453805

ΔHf, kcal/mol:

-520.16

Dipole, Da:

3.31

IP(EA), eV:

 -8.84(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[2-[[2-[[5-amino-2-[[2-[(2-amino-3-phenylpropanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]propanoylamino]-4-methylpentanoyl]amino]-3-hydroxybutanoic acid

Drug info:

PubChemData

Smile

CC1C2C(CC3C2(CCC4C3CC=C5C4(C(CC(C5)O)OC6C(C(C(C(O6)C)O)OC7C(C(C(CO7)O)O)O)OC8C(C(C(C(O8)C)O)O)O)C)C)OC19CCC(=C)CO9

DOS

IR

Vibrations