Geometry & MOs

Info

ID:	65247
PubChem CID:	29204665
Reduced:	SN2F3O6C20H21 (1)
Stoich.:	AB2C3D6E20F21 (1)
Weight, g/mol:	444.133063
ΔH_f, kcal/mol:	-375.71
Dipole, Da:	6.57
IP(EA), eV:	-9.18(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(diethylsulfamoyl)phenyl]-N-[4-(trifluoromethoxy)phenyl]propanamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C(=O)N[C@H](CCS(=O)(=O)C)C(=O)NC2=CC=C(C=C2)OC(F)(F)F

DOS

IR

Vibrations