Geometry & MOs

Info

ID:	141118
PubChem CID:	52820753
Reduced:	SO2N5C18H23 (1)
Stoich.:	AB2C5D18E23 (1)
Weight, g/mol:	476.213364
ΔH_f, kcal/mol:	-8.42
Dipole, Da:	4.2
IP(EA), eV:	-9.36(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[[4-(4-methylphenyl)sulfonylphenyl]methyl]piperazin-1-yl]-4-phenylbutan-1-one

Drug info:

PubChemData

Smile

C1CN(CCN1CC(=O)NC2=NN=CS2)C(=O)CCCC3=CC=CC=C3

DOS

IR

Vibrations