Geometry & MOs

Info

ID:	68736
PubChem CID:	46509001
Reduced:	SO2N4C27H28 (1)
Stoich.:	AB2C4D27E28 (1)
Weight, g/mol:	455.194402
ΔH_f, kcal/mol:	-6.26
Dipole, Da:	2.69
IP(EA), eV:	-8.64(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-oxo-2-propan-2-yloxyethyl) 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)C3CCN(CC3)C(=O)/C=C/C4=CC=CC=C4)C

DOS

IR

Vibrations