Geometry & MOs

Info

ID:	287925
PubChem CID:	104299457
Reduced:	Br2F2H12C15 (1)
Stoich.:	A2B2C12D15 (1)
Weight, g/mol:	371.98917
ΔH_f, kcal/mol:	-64.95
Dipole, Da:	1.88
IP(EA), eV:	-9.5(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-3-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)F)C(C2=CC(=C(C=C2)Br)C)Br

DOS

IR

Vibrations