Geometry & MOs

Info

ID:

215225

PubChem CID:

85084394

Reduced:

O9C18H22 (2)

Stoich.:

A9B18C22 (2)

Weight, g/mol:

764.331582

ΔHf, kcal/mol:

-704.49

Dipole, Da:

6.2

IP(EA), eV:

 -9.44(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[2-[[2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]propanoylamino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfinylbutanoic acid

Drug info:

PubChemData

Smile

CC1C(C(C(C(O1)OC2C3C=COC(C3C4(C2O4)CO)OC5C(C(C(C(O5)COC(=O)C)O)O)O)OC(=O)C)OC(=O)C=CC6=CC=CC=C6)OC(=O)C

DOS

IR

Vibrations