Geometry & MOs

Info

ID:	61379
PubChem CID:	26708722
Reduced:	SN3O5C23H25 (1)
Stoich.:	AB3C5D23E25 (1)
Weight, g/mol:	471.06275
ΔH_f, kcal/mol:	-137.29
Dipole, Da:	6.98
IP(EA), eV:	-8.06(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]-2-fluorobenzamide

Drug info:

PubChemData

Smile

CCOC1=CC(=C(C=C1)OCC)C2=CSC(=N2)NC(=O)C3=CC=C(C=C3)NC(=O)OCC

DOS

IR

Vibrations