Geometry & MOs

Info

ID:

214589

PubChem CID:

85083239

Reduced:

O7H9C13 (2)

Stoich.:

A7B9C13 (2)

Weight, g/mol:

554.285283

ΔHf, kcal/mol:

-459.71

Dipole, Da:

3.88

IP(EA), eV:

 -9.27(-2.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[3-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoylcarbamoylamino]-3-phenylpropanoyl]amino]-4-methylpentanamide

Drug info:

PubChemData

Smile

COC1=CC(=O)C2=C(C1=O)C(=C3C(=C2O)C(C4(O3)CC(C5=C(O4)C(=C6C(=C5)C=C(OC6=O)C(=O)OC)O)O)O)O

DOS

IR

Vibrations