Geometry & MOs

Info

ID:

176080

PubChem CID:

75992155

Reduced:

SCl2N2O3C20H22 (1)

Stoich.:

AB2C2D3E20F22 (1)

Weight, g/mol:

1289.731835

ΔHf, kcal/mol:

-62.63

Dipole, Da:

3.14

IP(EA), eV:

 -8.42(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[5-amino-2-[[2-[[2-[[2-[[2-[[5-amino-2-[[2-(2,6-diaminohexanoylamino)-3-methylbutanoyl]amino]pentanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-thiophen-2-ylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]pentanoyl]amino]-4-methylpentanoyl]amino]pentanediamide

Drug info:

PubChemData

Smile

CCCC(=O)OC1=CC2=C(S1)CCN(C2)C(=NOCC)C3=C(C=CC(=C3)Cl)Cl

DOS

IR

Vibrations