Geometry & MOs

Info

ID:	153203
PubChem CID:	56312362
Reduced:	SN2O4C17H20 (1)
Stoich.:	AB2C4D17E20 (1)
Weight, g/mol:	400.106848
ΔH_f, kcal/mol:	-55.36
Dipole, Da:	5.09
IP(EA), eV:	-9.56(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,2-trifluoro-N-[4-(3-phenylbutylsulfamoyl)phenyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)[N+](=O)[O-])S(=O)(=O)NCCC(C)C2=CC=CC=C2

DOS

IR

Vibrations