Geometry & MOs

Info

ID:	156415
PubChem CID:	56370518
Reduced:	OSN4C21H32 (1)
Stoich.:	ABC4D21E32 (1)
Weight, g/mol:	441.13046
ΔH_f, kcal/mol:	-25.55
Dipole, Da:	4.57
IP(EA), eV:	-8.96(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C(C(C)C)NC(=O)CSC2=NN=C(N2C)C(C)C

DOS

IR

Vibrations