Geometry & MOs

Info

ID:	178524
PubChem CID:	76342437
Reduced:	N2O5C26H32 (1)
Stoich.:	A2B5C26D32 (1)
Weight, g/mol:	483.219178
ΔH_f, kcal/mol:	-147.69
Dipole, Da:	3.64
IP(EA), eV:	-8.83(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]piperazin-1-yl]-4-phenylbutan-1-one

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C=CC(=O)N2CCN(CC2)C(=O)CCCC3=CC=CC=C3

DOS

IR

Vibrations