Geometry & MOs

Info

ID:	78533
PubChem CID:	49693496
Reduced:	SN3O4C18H25 (1)
Stoich.:	AB3C4D18E25 (1)
Weight, g/mol:	395.151492
ΔH_f, kcal/mol:	-157.23
Dipole, Da:	4.57
IP(EA), eV:	-9.35(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]-3-methylpiperazin-2-one

Drug info:

PubChemData

Smile

CC1C(=O)NCCN1C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

DOS

IR

Vibrations