Geometry & MOs

Info

ID:	366081
PubChem CID:	127319412
Reduced:	SO3N4C14H16 (1)
Stoich.:	AB3C4D14E16 (1)
Weight, g/mol:	349.109627
ΔH_f, kcal/mol:	-54.12
Dipole, Da:	3.97
IP(EA), eV:	-9.93(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothian-3-yl)-3-(4-oxocinnolin-1-yl)propanamide

Drug info:

PubChemData

Smile

C1CC(CS(=O)(=O)C1)NC(=O)C2=CC=C(C=C2)N3C=NC=N3

DOS

IR

Vibrations