Geometry & MOs

Info

ID:	40922
PubChem CID:	8144960
Reduced:	SO2N5C18H25 (1)
Stoich.:	AB2C5D18E25 (1)
Weight, g/mol:	374.207981
ΔH_f, kcal/mol:	-12.14
Dipole, Da:	2.34
IP(EA), eV:	-8.57(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

ethyl 1-[[(4S)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]piperidin-1-ium-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1CCN(CC1)CN2C(=S)N(N=N2)C3=C(C=C(C=C3)C)C

DOS

IR

Vibrations