Geometry & MOs

Info

ID:	78522
PubChem CID:	49693467
Reduced:	SN3O4C21H25 (1)
Stoich.:	AB3C4D21E25 (1)
Weight, g/mol:	310.098728
ΔH_f, kcal/mol:	-115.93
Dipole, Da:	5.55
IP(EA), eV:	-9.52(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCNC(=O)C3C

DOS

IR

Vibrations