Geometry & MOs

Info

ID:

191877

PubChem CID:

78197724

Reduced:

O2N3C16H23 (1)

Stoich.:

A2B3C16D23 (1)

Weight, g/mol:

666.235299

ΔHf, kcal/mol:

-97.98

Dipole, Da:

4.38

IP(EA), eV:

 -8.76(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(2-amino-3-carboxypropanoyl)amino]-5-[[1-[[1-[[1-[(1-carboxy-2-sulfanylethyl)amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CCCCCCC1=CC=C(C=C1)NC2CC(=O)NC(=O)N2

DOS

IR

Vibrations