Geometry & MOs

Info

ID:	284315
PubChem CID:	104042854
Reduced:	SO3N4H12C13 (1)
Stoich.:	AB3C4D12E13 (1)
Weight, g/mol:	296.999031
ΔH_f, kcal/mol:	-39.35
Dipole, Da:	3.2
IP(EA), eV:	-8.59(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-aminothiadiazol-4-yl)methyl]-1,1-dioxo-[1,2]thiazolo[5,4-b]pyridin-3-one

Drug info:

PubChemData

Smile

CNC1=NC=C(C=C1)CN2C(=O)C3=C(S2(=O)=O)N=CC=C3

DOS

IR

Vibrations