Geometry & MOs

Info

ID:	155355
PubChem CID:	56352946
Reduced:	SO2N4C27H28 (1)
Stoich.:	AB2C4D27E28 (1)
Weight, g/mol:	346.225643
ΔH_f, kcal/mol:	-12.76
Dipole, Da:	2.89
IP(EA), eV:	-8.53(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[4-[ethyl(propan-2-yl)amino]benzoyl]piperidine-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC3=CC=CC(=C3)CSC4=CC=CC=N4

DOS

IR

Vibrations