Geometry & MOs

Info

ID:

191882

PubChem CID:

78197753

Reduced:

S2N6O13C26H42 (1)

Stoich.:

A2B6C13D26E42 (1)

Weight, g/mol:

662.294527

ΔHf, kcal/mol:

-605.33

Dipole, Da:

7.79

IP(EA), eV:

 -8.77(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-5-[[3-carboxy-1-[[1-[[1-[[1-[(1-carboxy-2-sulfanylethyl)amino]-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CSCCC(C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NCCS)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)N

DOS

IR

Vibrations