Geometry & MOs

Info

ID:

215378

PubChem CID:

85084644

Reduced:

O17C43H72 (1)

Stoich.:

A17B43C72 (1)

Weight, g/mol:

860.356082

ΔHf, kcal/mol:

-829.8

Dipole, Da:

5.96

IP(EA), eV:

 -9.85(0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-3-[[2-[[2-[[2-[[2-[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]-3-phenylpropanoyl]amino]-3-sulfanylpropanoyl]amino]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C(=O)C)O)C)C)O)OC)COCC6C(C(C(C(O6)COCC7C(C(C(C(O7)CO)O)O)O)O)O)O

DOS

IR

Vibrations