Geometry & MOs

Info

ID:	350589
PubChem CID:	127278624
Reduced:	N3O4C20H25 (1)
Stoich.:	A3B4C20D25 (1)
Weight, g/mol:	395.187878
ΔH_f, kcal/mol:	-161.73
Dipole, Da:	3.75
IP(EA), eV:	-9.19(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide

Drug info:

PubChemData

Smile

CC12CCC(=O)N1C3=CC=CC=C3C(=O)N2CC(=O)N(C)CC4CCCO4

DOS

IR

Vibrations