Geometry & MOs

Info

ID:	71533
PubChem CID:	48415009
Reduced:	FSN3O3C19H26 (1)
Stoich.:	ABC3D3E19F26 (1)
Weight, g/mol:	364.151096
ΔH_f, kcal/mol:	-104.95
Dipole, Da:	3.9
IP(EA), eV:	-8.84(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-but-3-ynylpiperazin-1-yl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N1CCN(CC1)CCC#C)NS(=O)(=O)C2=CC=CC=C2F

DOS

IR

Vibrations