Geometry & MOs

Info

ID:	245400
PubChem CID:	99444366
Reduced:	BrSN3O4C20H24 (1)
Stoich.:	ABC3D4E20F24 (1)
Weight, g/mol:	436.160992
ΔH_f, kcal/mol:	-131.09
Dipole, Da:	7.41
IP(EA), eV:	-9.42(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-ethoxyphenoxy)-1-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)NCC1=CC=C(C=C1)S(=O)(=O)NC)NC(=O)C2=CC=CC=C2Br

DOS

IR

Vibrations