Geometry & MOs

Info

ID:	16563
PubChem CID:	472835
Reduced:	S2N3C12H19 (1)
Stoich.:	A2B3C12D19 (1)
Weight, g/mol:	269.10204
ΔH_f, kcal/mol:	33.84
Dipole, Da:	3.62
IP(EA), eV:	-8.9(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-tert-butyl-6-propylsulfanylpyrazine-2-carboximidothioic acid

Drug info:

PubChemData

Smile

CCCSC1=NC(=CN=C1C(C)(C)C)C(=N)S

DOS

IR

Vibrations