Geometry & MOs

Info

ID:	131123
PubChem CID:	51159610
Reduced:	NSO4C20H21 (1)
Stoich.:	ABC4D20E21 (1)
Weight, g/mol:	391.136591
ΔH_f, kcal/mol:	-131.86
Dipole, Da:	4.66
IP(EA), eV:	-8.51(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carbonyl]piperidine-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1CCCN(C1)C(=O)C2=CC3=C(S2)C4=CC=CC=C4OC3

DOS

IR

Vibrations