Geometry & MOs

Info

ID:	357540
PubChem CID:	127294203
Reduced:	S2O3N4C12H20 (1)
Stoich.:	A2B3C4D12E20 (1)
Weight, g/mol:	390.107185
ΔH_f, kcal/mol:	-90.88
Dipole, Da:	4.91
IP(EA), eV:	-8.71(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-thiomorpholin-4-ylsulfonylethyl)-1,2-dihydroacenaphthylene-5-carboxamide

Drug info:

PubChemData

Smile

C1CSCCN1S(=O)(=O)CCNC(=O)CCN2C=CC=N2

DOS

IR

Vibrations