Geometry & MOs

Info

ID:	60183
PubChem CID:	26675862
Reduced:	SN2O6H16C17 (1)
Stoich.:	AB2C6D16E17 (1)
Weight, g/mol:	480.076691
ΔH_f, kcal/mol:	-106.46
Dipole, Da:	7.2
IP(EA), eV:	-9.33(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-fluorophenyl)methyl]-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-(trifluoromethyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CN(CC1=NOC(=C1)C2=CC=CO2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations