Geometry & MOs

Info

ID:

191884

PubChem CID:

78197755

Reduced:

SN6O11C27H46 (1)

Stoich.:

AB6C11D27E46 (1)

Weight, g/mol:

740.235692

ΔHf, kcal/mol:

-528.25

Dipole, Da:

5.34

IP(EA), eV:

 -9.46(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[2-[[2-[(2-amino-3-carboxypropanoyl)amino]-4-carboxybutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-[[4-carboxy-1-[(1-hydroxy-3-sulfanylpropan-2-yl)amino]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations