Geometry & MOs

Info

ID:	64688
PubChem CID:	29203858
Reduced:	SN4O4C24H30 (1)
Stoich.:	AB4C4D24E30 (1)
Weight, g/mol:	473.232599
ΔH_f, kcal/mol:	-107.01
Dipole, Da:	9.06
IP(EA), eV:	-8.57(-0.37)
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]-3,4,5-trimethoxybenzamide

Drug info:

PubChemData

Smile

CCN(CC)C1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CC3=CNC4=CC=CC=C43

DOS

IR

Vibrations