Geometry & MOs

Info

ID:	78524
PubChem CID:	49693478
Reduced:	SN2O2C13H16 (1)
Stoich.:	AB2C2D13E16 (1)
Weight, g/mol:	278.108899
ΔH_f, kcal/mol:	-61.33
Dipole, Da:	7.33
IP(EA), eV:	-8.8(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-ethylsulfanylbenzoyl)-3-methylpiperazin-2-one

Drug info:

PubChemData

Smile

CC1C(=O)NCCN1C(=O)C2=CC=C(C=C2)SC

DOS

IR

Vibrations