Geometry & MOs

Info

ID:

222946

PubChem CID:

85333426

Reduced:

ClSN3O3C41H50 (1)

Stoich.:

ABC3D3E41F50 (1)

Weight, g/mol:

701.370803

ΔHf, kcal/mol:

-52.21

Dipole, Da:

5.41

IP(EA), eV:

 -8.55(-1.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[1-[2-[[2-[[5-amino-2-(2,6-diaminohexanoylamino)-5-oxopentanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoic acid

Drug info:

PubChemData

Smile

CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4=CC5=C(CC34C)C=NN5S(=O)(=O)C6=CC=C(C=C6)OC7=C(C(=CC=C7)Cl)C#N)C

DOS

IR

Vibrations