Geometry & MOs

Info

ID:	238643
PubChem CID:	92764754
Reduced:	ClF3O3N4H22C23 (1)
Stoich.:	AB3C3D4E22F23 (1)
Weight, g/mol:	413.224932
ΔH_f, kcal/mol:	-236.7
Dipole, Da:	5.62
IP(EA), eV:	-9.0(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(1S)-1-(4-methylphenyl)ethyl]piperazin-1-yl]-1-[(3S)-3-(thiadiazol-4-yl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CN(CCN1CC(=O)NC2=CC=CC=C2)[C@H]3CC(=O)N(C3=O)C4=CC(=C(C=C4)Cl)C(F)(F)F

DOS

IR

Vibrations