Geometry & MOs

Info

ID:	69106
PubChem CID:	46518598
Reduced:	FSO2N3H14C17 (1)
Stoich.:	ABC2D3E14F17 (1)
Weight, g/mol:	430.084195
ΔH_f, kcal/mol:	-64.36
Dipole, Da:	5.54
IP(EA), eV:	-8.37(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanone

Drug info:

PubChemData

Smile

CNC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=CC=C3S2)F

DOS

IR

Vibrations