Geometry & MOs

Info

ID:	360561
PubChem CID:	127301206
Reduced:	F3N3O3C16H26 (1)
Stoich.:	A3B3C3D16E26 (1)
Weight, g/mol:	351.125277
ΔH_f, kcal/mol:	-318.1
Dipole, Da:	2.78
IP(EA), eV:	-9.47(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[4-(azetidine-1-carbonyl)phenyl]sulfonylpiperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCCC1)NC(=O)CN2CCCC2C(C(F)(F)F)O

DOS

IR

Vibrations