Geometry & MOs

Info

ID:	156973
PubChem CID:	56404208
Reduced:	SN2O6C19H28 (1)
Stoich.:	AB2C6D19E28 (1)
Weight, g/mol:	432.10486
ΔH_f, kcal/mol:	-247.08
Dipole, Da:	9.04
IP(EA), eV:	-8.86(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(3-bromophenyl)-2,5-dimethylpyrrol-3-yl]-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)NS(=O)(=O)CC(=O)N2CCC(CC2)C3OCCO3

DOS

IR

Vibrations