Geometry & MOs

Info

ID:	166000
PubChem CID:	74623952
Reduced:	FN3O4C25H27 (1)
Stoich.:	AB3C4D25E27 (1)
Weight, g/mol:	435.066057
ΔH_f, kcal/mol:	-132.34
Dipole, Da:	5.98
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.995762
Charge, e:	1

Chem-info

IUPAC name:

1-[2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]propanoyl]imidazolidin-2-one

Drug info:

PubChemData

Smile

CC1=C(C=C2C=CC(=CC2=N1)OC)C(=O)N3CC[NH+](CC3)C(C4=CC=C(C=C4)F)C(=O)OC

DOS

IR

Vibrations