Geometry & MOs

Info

ID:	32788
PubChem CID:	7848441
Reduced:	NO6C17H21 (1)
Stoich.:	AB6C17D21 (1)
Weight, g/mol:	415.041185
ΔH_f, kcal/mol:	-240.83
Dipole, Da:	4.46
IP(EA), eV:	-8.86(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dichlorophenoxy)-1-[1-[(3R)-1,1-dioxothiolan-3-yl]-2,5-dimethylpyrrol-3-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)CCC(=O)OCC(=O)NC1=CC2=C(C=C1C(=O)C)OCO2

DOS

IR

Vibrations