Geometry & MOs

Info

ID:	344900
PubChem CID:	127268660
Reduced:	SN3O3C16H25 (1)
Stoich.:	AB3C3D16E25 (1)
Weight, g/mol:	395.187878
ΔH_f, kcal/mol:	-110.19
Dipole, Da:	5.5
IP(EA), eV:	-9.04(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-N-methyl-4-(oxan-2-ylmethylsulfonyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(OC1)CS(=O)(=O)NC2CCN(CC2)CC3=CC=CC=N3

DOS

IR

Vibrations