Geometry & MOs

Info

ID:	151755
PubChem CID:	56310490
Reduced:	SO3N4C25H32 (1)
Stoich.:	AB3C4D25E32 (1)
Weight, g/mol:	480.253669
ΔH_f, kcal/mol:	-110.7
Dipole, Da:	1.04
IP(EA), eV:	-9.09(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CCC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)N

DOS

IR

Vibrations