Geometry & MOs

Info

ID:	56244
PubChem CID:	17422804
Reduced:	SN2O4C14H14 (1)
Stoich.:	AB2C4D14E14 (1)
Weight, g/mol:	290.199428
ΔH_f, kcal/mol:	-70.29
Dipole, Da:	4.17
IP(EA), eV:	-9.54(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(azepan-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CONC(=O)C1=CC(=CC=C1)NS(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations