Geometry & MOs

Info

ID:	78514
PubChem CID:	49693453
Reduced:	SN4O6C19H26 (1)
Stoich.:	AB4C6D19E26 (1)
Weight, g/mol:	379.156577
ΔH_f, kcal/mol:	-230.1
Dipole, Da:	4.44
IP(EA), eV:	-9.49(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]piperazin-2-one

Drug info:

PubChemData

Smile

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCNC(=O)C3C

DOS

IR

Vibrations