Geometry & MOs

Info

ID:	123250
PubChem CID:	50839351
Reduced:	ClN2S2F3O3H14C17 (1)
Stoich.:	AB2C2D3E3F14G17 (1)
Weight, g/mol:	486.100717
ΔH_f, kcal/mol:	-193.88
Dipole, Da:	7.41
IP(EA), eV:	-8.86(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methoxyphenyl)-4-[2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-3-yl]sulfonylpiperazine

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)NS(=O)(=O)C2=C(SC(=C2C3=NOC(=C3)C(F)(F)F)C)C

DOS

IR

Vibrations