Geometry & MOs

Info

ID:	154271
PubChem CID:	56313680
Reduced:	BrFNOC17H17 (1)
Stoich.:	ABCDE17F17 (1)
Weight, g/mol:	374.166414
ΔH_f, kcal/mol:	-57.39
Dipole, Da:	3.7
IP(EA), eV:	-9.44(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(methylsulfamoyl)phenyl]-N-(3-phenylbutyl)propanamide

Drug info:

PubChemData

Smile

CC(CCNC(=O)C1=C(C=CC(=C1)F)Br)C2=CC=CC=C2

DOS

IR

Vibrations