Geometry & MOs

Info

ID:	69258
PubChem CID:	46530538
Reduced:	N2F3O5H19C25 (1)
Stoich.:	A2B3C5D19E25 (1)
Weight, g/mol:	485.234828
ΔH_f, kcal/mol:	-274.18
Dipole, Da:	3.96
IP(EA), eV:	-8.55(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(benzenesulfonyl)piperazin-1-yl]-N-[1-(4-ethylphenyl)-2-methylpropyl]-4-oxobutanamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CC=CC=C4OCC(F)(F)F

DOS

IR

Vibrations