Geometry & MOs

Info

ID:	41000
PubChem CID:	8145097
Reduced:	SO2N4C19H26 (1)
Stoich.:	AB2C4D19E26 (1)
Weight, g/mol:	402.239282
ΔH_f, kcal/mol:	-26.46
Dipole, Da:	7.09
IP(EA), eV:	-8.25(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

ethyl 1-[[(4R)-4-(2-methylpropyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]piperidin-1-ium-4-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=NC(=S)N(N2)CN3CCC(CC3)C(=O)OCC

DOS

IR

Vibrations