Geometry & MOs

Info

ID:	61354
PubChem CID:	26708516
Reduced:	FSO2N4C19H19 (1)
Stoich.:	ABC2D4E19F19 (1)
Weight, g/mol:	384.20873
ΔH_f, kcal/mol:	-35.91
Dipole, Da:	6.44
IP(EA), eV:	-9.02(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(2,3-dimethylphenyl)-2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-ium-1-yl]acetamide

Drug info:

PubChemData

Smile

C[C@H]1CCC2=C(C1)SC(=N2)NC(=O)CCC3=NC(=NO3)C4=CC=C(C=C4)F

DOS

IR

Vibrations