Geometry & MOs

Info

ID:	207617
PubChem CID:	80427369
Reduced:	ClOS2N4H9C10 (1)
Stoich.:	ABC2D4E9F10 (1)
Weight, g/mol:	267.024852
ΔH_f, kcal/mol:	66.55
Dipole, Da:	1.72
IP(EA), eV:	-9.06(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-[6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1H-pyridin-2-ylidene]-nitrosomethanamine

Drug info:

PubChemData

Smile

CC1=NSC(=N1)SC2=C(C=C(C=C2)Cl)C(=NO)N

DOS

IR

Vibrations