Geometry & MOs

Info

ID:	229541
PubChem CID:	87567975
Reduced:	SO4N6H16C19 (1)
Stoich.:	AB4C6D16E19 (1)
Weight, g/mol:	441.120586
ΔH_f, kcal/mol:	-43.54
Dipole, Da:	3.63
IP(EA), eV:	-8.68(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-2-[2-(2,4-dihydroxyphenyl)ethylideneamino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CS(=O)(=O)OC1=CC=CC(=C1)C2=NC3=NC(=NC(=C3N=C2C4=CC(=CC=C4)O)N)N

DOS

IR

Vibrations