Geometry & MOs

Info

ID:	198109
PubChem CID:	79049281
Reduced:	BrClSN3O3H9C11 (1)
Stoich.:	ABCD3E3F9G11 (1)
Weight, g/mol:	338.043
ΔH_f, kcal/mol:	-79.27
Dipole, Da:	2.9
IP(EA), eV:	-9.22(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-(3-fluoro-5-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=N1)NS(=O)(=O)C2=CNC(=O)C(=C2)Cl)Br

DOS

IR

Vibrations