Geometry & MOs

Info

ID:	44253
PubChem CID:	10502227
Reduced:	SN2O6C20H24 (1)
Stoich.:	AB2C6D20E24 (1)
Weight, g/mol:	420.241293
ΔH_f, kcal/mol:	-228.92
Dipole, Da:	11.27
IP(EA), eV:	-9.3(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[2-oxo-2-[[(E)-1-(2-piperidin-1-ylphenyl)but-1-enyl]amino]ethyl]benzoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=CC(=CC=C1)S(=O)(=O)N(CC2=CC=CC=C2)CC(=O)O

DOS

IR

Vibrations