Geometry & MOs

Info

ID:	64685
PubChem CID:	29203854
Reduced:	FOSN2C18H19 (1)
Stoich.:	ABCD2E18F19 (1)
Weight, g/mol:	413.21147
ΔH_f, kcal/mol:	-31.23
Dipole, Da:	5.56
IP(EA), eV:	-8.44(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide

Drug info:

PubChemData

Smile

C1CC2=C(C1)SC(=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4F

DOS

IR

Vibrations