Geometry & MOs

Info

ID:	145569
PubChem CID:	53546162
Reduced:	SF2N2O3C15H20 (1)
Stoich.:	AB2C2D3E15F20 (1)
Weight, g/mol:	346.182733
ΔH_f, kcal/mol:	-211.65
Dipole, Da:	5.62
IP(EA), eV:	-9.39(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-ethylimidazol-2-yl)sulfanyl-3-(4-phenylpiperazin-1-yl)propan-2-ol

Drug info:

PubChemData

Smile

CC1CCCCN1C(=O)C(C)NS(=O)(=O)C2=CC(=CC(=C2)F)F

DOS

IR

Vibrations