Geometry & MOs

Info

ID:	368818
PubChem CID:	127330254
Reduced:	N2O3S3C17H18 (1)
Stoich.:	A2B3C3D17E18 (1)
Weight, g/mol:	319.189592
ΔH_f, kcal/mol:	-69.59
Dipole, Da:	2.76
IP(EA), eV:	-8.46(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(oxolan-3-ylmethoxy)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CCN(C1)S(=O)(=O)C2=C(SC=C2)C(=O)NC3CSC4=CC=CC=C34

DOS

IR

Vibrations