Geometry & MOs

Info

ID:	78515
PubChem CID:	49693455
Reduced:	SN3O4C18H25 (1)
Stoich.:	AB3C4D18E25 (1)
Weight, g/mol:	379.156577
ΔH_f, kcal/mol:	-148.9
Dipole, Da:	2.48
IP(EA), eV:	-9.42(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCNC(=O)C3C

DOS

IR

Vibrations