Geometry & MOs

Info

ID:	60953
PubChem CID:	26703560
Reduced:	N3O4H21C25 (1)
Stoich.:	A3B4C21D25 (1)
Weight, g/mol:	436.146821
ΔH_f, kcal/mol:	-40.87
Dipole, Da:	4.77
IP(EA), eV:	-8.38(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,5-dimethoxyphenyl)-1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)OC(=O)C3=CN(N=C3)CC4=CC=CC=C4

DOS

IR

Vibrations