Geometry & MOs

Info

ID:

191880

PubChem CID:

78197751

Reduced:

SN6O15C29H44 (1)

Stoich.:

AB6C15D29E44 (1)

Weight, g/mol:

634.263227

ΔHf, kcal/mol:

-674.49

Dipole, Da:

18.67

IP(EA), eV:

 -8.96(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-5-[[3-carboxy-1-[[1-[[1-[[2-[(1-carboxy-2-sulfanylethyl)amino]-2-oxoethyl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-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)N(CC=C)CC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)N

DOS

IR

Vibrations