Geometry & MOs

Info

ID:	176450
PubChem CID:	76050679
Reduced:	SN3O4H17C19 (1)
Stoich.:	AB3C4D17E19 (1)
Weight, g/mol:	366.107185
ΔH_f, kcal/mol:	-24.72
Dipole, Da:	7.65
IP(EA), eV:	-9.06(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(1,3-dithian-2-yl)phenoxy]-N-(4-oxopiperidin-3-yl)acetamide

Drug info:

PubChemData

Smile

C1CN(C2=C1C=CC(=C2)[N+](=O)[O-])C(=O)C3CSCN3C(=O)C4=CC=CC=C4

DOS

IR

Vibrations