Geometry & MOs

Info

ID:	24372
PubChem CID:	609745
Reduced:	FSN2O2C18H19 (1)
Stoich.:	ABC2D2E18F19 (1)
Weight, g/mol:	346.115127
ΔH_f, kcal/mol:	-74.23
Dipole, Da:	4.57
IP(EA), eV:	-8.85(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-fluoro-2-methyl-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]ethanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C(=O)C)F)N2CCN(CC2)C(=O)C3=CC=CS3

DOS

IR

Vibrations