Geometry & MOs

Info

ID:	56579
PubChem CID:	17436399
Reduced:	SO2N4C16H20 (1)
Stoich.:	AB2C4D16E20 (1)
Weight, g/mol:	432.129692
ΔH_f, kcal/mol:	-48.55
Dipole, Da:	5.44
IP(EA), eV:	-8.8(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2N=C1SCC(=O)N3CCCC(C3)C(=O)N

DOS

IR

Vibrations