Geometry & MOs

Info

ID:	67602
PubChem CID:	46506798
Reduced:	SF3N3O3C25H28 (1)
Stoich.:	AB3C3D3E25F28 (1)
Weight, g/mol:	413.177313
ΔH_f, kcal/mol:	-272.37
Dipole, Da:	8.16
IP(EA), eV:	-9.07(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CCCNC(=O)C1CCC(CC1)CN2C(=O)C3=C(C=CS3)N(C2=O)CC4=CC(=CC=C4)C(F)(F)F

DOS

IR

Vibrations