Geometry & MOs

Info

ID:

221548

PubChem CID:

85279499

Reduced:

S2Si2O13C62H104 (1)

Stoich.:

A2B2C13D62E104 (1)

Weight, g/mol:

1177.609136

ΔHf, kcal/mol:

-701.78

Dipole, Da:

3.47

IP(EA), eV:

 -8.46(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[4-amino-2-[[2-[[5-amino-2-[[2-[[2-[[2-[[2-[(2-amino-3-carboxypropanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCC(C(CCC(C(CCC(C(C=CCCCOCC1=CC=CC=C1)OCOC)OS(=O)(=O)C2=CC=C(C=C2)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OS(=O)(=O)C3=CC=C(C=C3)C)OCOC

DOS

IR

Vibrations