Geometry & MOs

Info

ID:	40924
PubChem CID:	8144963
Reduced:	N2O2S2H8C13 (1)
Stoich.:	A2B2C2D8E13 (1)
Weight, g/mol:	373.200156
ΔH_f, kcal/mol:	93.72
Dipole, Da:	5.28
IP(EA), eV:	-8.87(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)[N+](=O)[O-])N=CC2=CC3=C(S2)C=CS3

DOS

IR

Vibrations