Geometry & MOs

Info

ID:	228807
PubChem CID:	87565850
Reduced:	ClO2S3N4H23C32 (1)
Stoich.:	AB2C3D4E23F32 (1)
Weight, g/mol:	300.976188
ΔH_f, kcal/mol:	175.03
Dipole, Da:	3.17
IP(EA), eV:	-8.69(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-(1,3-thiazol-2-yl) 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyiminoethanethioate

Drug info:

PubChemData

Smile

CON=C(C1=C(SC(=N1)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)Cl)C(=S)OC5=NC6=CC=CC=C6S5

DOS

IR

Vibrations