Geometry & MOs

Info

ID:

168331

PubChem CID:

74953155

Reduced:

SO9H26C31 (1)

Stoich.:

AB9C26D31 (1)

Weight, g/mol:

931.523482

ΔHf, kcal/mol:

-243.5

Dipole, Da:

0.87

IP(EA), eV:

 -8.38(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[[2-[2-[[2-[[2-(2-aminopropanoylamino)-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]propanoylamino]-4-methylpentanoyl]amino]-3-sulfanylpropanoyl]amino]-4-methylpentanoyl]amino]-3-sulfanylpropanoyl]amino]-4-methylpentanoic acid

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C2=C(SC=C2)C=C(CC3=CC4=C(C=C3OC)OCO4)C(=O)O)OCC5=CC=CC=C5C(=O)O

DOS

IR

Vibrations