Geometry & MOs

Info

ID:	64068
PubChem CID:	29195982
Reduced:	NO2H13C14 (2)
Stoich.:	AB2C13D14 (2)
Weight, g/mol:	359.131506
ΔH_f, kcal/mol:	-54.0
Dipole, Da:	2.41
IP(EA), eV:	-8.55(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-2-methoxyacetamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCC5=CC=CC=C5C4

DOS

IR

Vibrations