Geometry & MOs

Info

ID:	371019
PubChem CID:	127341829
Reduced:	ClSN2O4C16H21 (1)
Stoich.:	ABC2D4E16F21 (1)
Weight, g/mol:	386.106706
ΔH_f, kcal/mol:	-158.86
Dipole, Da:	6.64
IP(EA), eV:	-9.39(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-chlorophenyl)methyl]-4-(oxan-2-ylmethylsulfonyl)piperazin-2-one

Drug info:

PubChemData

Smile

C1CC(OC1)CS(=O)(=O)N2CCN(C(=O)C2)CC3=CC=C(C=C3)Cl

DOS

IR

Vibrations