Geometry & MOs

Info

ID:	232304
PubChem CID:	87575930
Reduced:	NSO4C10H17 (1)
Stoich.:	ABC4D10E17 (1)
Weight, g/mol:	465.108701
ΔH_f, kcal/mol:	-132.91
Dipole, Da:	5.27
IP(EA), eV:	-10.34(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-amino-5-oxo-5-[[(2R)-1-oxo-1-[(2-oxo-2-propan-2-yloxyethyl)amino]-3-sulfanylpropan-2-yl]amino]pentanoic acid;sulfuric acid;hydrate

Drug info:

PubChemData

Smile

CCCCCC(C1=NOC=C1)OS(=O)(=O)C

DOS

IR

Vibrations