Geometry & MOs

Info

ID:

168265

PubChem CID:

74942164

Reduced:

O3C31H50 (1)

Stoich.:

A3B31C50 (1)

Weight, g/mol:

1154.550242

ΔHf, kcal/mol:

-211.23

Dipole, Da:

1.34

IP(EA), eV:

 -9.1(1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-amino-2-[[2-[[2-[2-[[2-[[2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-carboxybutanoyl]amino]-3-hydroxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoylamino]-3-carboxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoic acid

Drug info:

PubChemData

Smile

CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(CC5(C)C)O)C)C)C2C1)C)C(=O)OC)C

DOS

IR

Vibrations