Geometry & MOs

Info

ID:	121650
PubChem CID:	50776068
Reduced:	SN3O4C23H31 (1)
Stoich.:	AB3C4D23E31 (1)
Weight, g/mol:	433.183541
ΔH_f, kcal/mol:	-127.29
Dipole, Da:	6.26
IP(EA), eV:	-9.01(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(2-phenylpropyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)S(=O)(=O)N(CCC2=CC=CC=C2)CCC(=O)N3CCNCC3

DOS

IR

Vibrations