Geometry & MOs

Info

ID:	264571
PubChem CID:	103470699
Reduced:	O4N5C12H17 (1)
Stoich.:	A4B5C12D17 (1)
Weight, g/mol:	263.029938
ΔH_f, kcal/mol:	6.72
Dipole, Da:	10.85
IP(EA), eV:	-8.43(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C1CCN(C1)CCOC2=CC=C(/C(=C(\N)/N=O)/N2)[N+](=O)[O-]

DOS

IR

Vibrations