Geometry & MOs

Info

ID:	245405
PubChem CID:	99444402
Reduced:	ClN2O4C20H21 (1)
Stoich.:	AB2C4D20E21 (1)
Weight, g/mol:	476.153656
ΔH_f, kcal/mol:	-129.0
Dipole, Da:	3.54
IP(EA), eV:	-8.81(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[(2-chlorophenyl)methyl]-N-ethyl-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

COC1=CC(=CC=C1)OCCNC(=O)[C@@H]2CC(=O)N(C2)C3=CC=CC=C3Cl

DOS

IR

Vibrations