Geometry & MOs

Info

ID:	169603
PubChem CID:	75125244
Reduced:	S2N3O3C20H23 (1)
Stoich.:	A2B3C3D20E23 (1)
Weight, g/mol:	486.218843
ΔH_f, kcal/mol:	-57.01
Dipole, Da:	0.54
IP(EA), eV:	-8.88(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3,4-diethoxyphenyl)ethyl]-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC2=NC(=NC(=O)C12)CSC(C)C(=O)NCC3=CC=CC=C3OC)C

DOS

IR

Vibrations