Geometry & MOs

Info

ID:

191883

PubChem CID:

78197754

Reduced:

SN6O11C27H46 (1)

Stoich.:

AB6C11D27E46 (1)

Weight, g/mol:

662.294527

ΔHf, kcal/mol:

-532.71

Dipole, Da:

3.61

IP(EA), eV:

 -9.29(-0.09)

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]amino]-3-methyl-1-oxobutan-2-yl]-methylamino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CCC(C(=O)NC(CS)C(=O)O)NC(=O)C(C(C)C)N(C)C(=O)C(C(C)C)NC(=O)C(CC(=O)O)NC(=O)C(CCC(=O)O)N

DOS

IR

Vibrations