Geometry & MOs

Info

ID:	154897
PubChem CID:	56314445
Reduced:	BrNO2C16H18 (1)
Stoich.:	ABC2D16E18 (1)
Weight, g/mol:	400.182064
ΔH_f, kcal/mol:	-43.1
Dipole, Da:	1.88
IP(EA), eV:	-9.45(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(cyclopentylsulfamoyl)-N-(3-phenylbutyl)benzamide

Drug info:

PubChemData

Smile

CC1=C(OC(=C1)Br)C(=O)NCCC(C)C2=CC=CC=C2

DOS

IR

Vibrations