Geometry & MOs

Info

ID:

170322

PubChem CID:

75216848

Reduced:

O2H8C9 (3)

Stoich.:

A2B8C9 (3)

Weight, g/mol:

929.494622

ΔHf, kcal/mol:

-170.22

Dipole, Da:

4.54

IP(EA), eV:

 -9.67(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[1-[5-(diaminomethylideneamino)-2-[5-[(N'-methylcarbamimidoyl)amino]pentanoylamino]pentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3,3-dimethylbutanoyl]amino]-4-methylpentanoic acid;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

C1C2C(C(C(O2)C(C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OCC5=CC=CC=C5)OC1=O

DOS

IR

Vibrations