Geometry & MOs

Info

ID:	188734
PubChem CID:	77760629
Reduced:	SO2H12C14 (1)
Stoich.:	AB2C12D14 (1)
Weight, g/mol:	501.197196
ΔH_f, kcal/mol:	-22.27
Dipole, Da:	1.45
IP(EA), eV:	-8.78(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-[4-[3-(4,5-dihydro-1H-imidazol-2-ylamino)propyl]-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-2-[(2-oxo-2-phenylacetyl)amino]propanoic acid

Drug info:

PubChemData

Smile

CC(=O)OC1=CC=CC=C1C=CC2=CC=CS2

DOS

IR

Vibrations