Geometry & MOs

Info

ID:	222066
PubChem CID:	85293743
Reduced:	SN2O8C24H44 (1)
Stoich.:	AB2C8D24E44 (1)
Weight, g/mol:	523.199488
ΔH_f, kcal/mol:	-439.04
Dipole, Da:	3.68
IP(EA), eV:	-9.46(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dibenzylidene-4-oxopiperidin-1-yl)-4-(3,4,5-trimethoxyphenyl)but-2-ene-1,4-dione

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)OC(C)(C)C)NC(=O)C1(CCCN1C(=O)OC(C)(C)C)CCCOS(=O)(=O)C

DOS

IR

Vibrations