Geometry & MOs

Info

ID:	144188
PubChem CID:	53329048
Reduced:	N3O7H19C23 (1)
Stoich.:	A3B7C19D23 (1)
Weight, g/mol:	414.122498
ΔH_f, kcal/mol:	-185.34
Dipole, Da:	5.64
IP(EA), eV:	-9.26(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-anilinoethyl)-2-methyl-2-[4-(trifluoromethyl)phenyl]sulfonylpropanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC\2=C(C(=O)O/C2=C\CN3C(=O)NC(=O)NC3=O)OCC4=CC=CC=C4

DOS

IR

Vibrations