Geometry & MOs

Info

ID:	245355
PubChem CID:	99443818
Reduced:	BrOSN4C23H25 (1)
Stoich.:	ABCD4E23F25 (1)
Weight, g/mol:	428.02055
ΔH_f, kcal/mol:	55.0
Dipole, Da:	2.02
IP(EA), eV:	-8.56(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-3-(methylsulfamoyl)benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)N2C(=NN=C2SCC(=O)N(CC3=CC(=CC=C3)Br)C4CC4)C

DOS

IR

Vibrations