Geometry & MOs

Info

ID:	64104
PubChem CID:	29196158
Reduced:	N2O3C20H24 (1)
Stoich.:	A2B3C20D24 (1)
Weight, g/mol:	451.15772
ΔH_f, kcal/mol:	-106.4
Dipole, Da:	7.18
IP(EA), eV:	-8.59(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(C(=C1)C)CC(=O)N2CCC3=CC=CC=C3C2)C

DOS

IR

Vibrations