Geometry & MOs

Info

ID:	366247
PubChem CID:	127319704
Reduced:	N2S2O4C13H18 (1)
Stoich.:	A2B2C4D13E18 (1)
Weight, g/mol:	347.093977
ΔH_f, kcal/mol:	-159.68
Dipole, Da:	8.85
IP(EA), eV:	-9.01(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothian-3-yl)-6-oxo-1-phenylpyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCCS(=O)(=O)C1)NC(=O)C2=CC=CS2

DOS

IR

Vibrations