Geometry & MOs

Info

ID:	173747
PubChem CID:	75678371
Reduced:	N3O3H12C16 (1)
Stoich.:	A3B3C12D16 (1)
Weight, g/mol:	308.982616
ΔH_f, kcal/mol:	8.81
Dipole, Da:	7.03
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.024830
Charge, e:	-1

Chem-info

IUPAC name:

5-(5-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-sulfanylidene-1,3-thiazol-4-olate

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1)NC(=O)C2=C(C3C=CC=CC3=NC2=O)[O-]

DOS

IR

Vibrations