Geometry & MOs

Info

ID:	41544
PubChem CID:	8146222
Reduced:	SO2N5C18H26 (1)
Stoich.:	AB2C5D18E26 (1)
Weight, g/mol:	374.207981
ΔH_f, kcal/mol:	5.33
Dipole, Da:	4.71
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.814612
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1CCC[NH+](C1)CN2C(=S)N(N=N2)C3=C(C=C(C=C3)C)C

DOS

IR

Vibrations