Geometry & MOs

Info

ID:	83967
PubChem CID:	49862939
Reduced:	SN2O2C25H36 (1)
Stoich.:	AB2C2D25E36 (1)
Weight, g/mol:	328.124549
ΔH_f, kcal/mol:	-48.72
Dipole, Da:	2.57
IP(EA), eV:	-9.17(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-1-(3-thiophen-2-ylphenyl)ethylideneamino] piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCNC(=O)O/N=C(\C)/C1=CC=CC(=C1)C2=CC=CS2

DOS

IR

Vibrations