Geometry & MOs

Info

ID:	401625
PubChem CID:	135051861
Reduced:	SN3C10H13 (1)
Stoich.:	AB3C10D13 (1)
Weight, g/mol:	223.005162
ΔH_f, kcal/mol:	42.59
Dipole, Da:	5.79
IP(EA), eV:	-8.68(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(Z)-(4-oxo-2,1,3-benzothiadiazol-5-ylidene)amino] acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCC(=S)N=C(N)N

DOS

IR

Vibrations