Geometry & MOs

Info

ID:	16562
PubChem CID:	472829
Reduced:	OSN3C11H17 (1)
Stoich.:	ABC3D11E17 (1)
Weight, g/mol:	239.109233
ΔH_f, kcal/mol:	-26.44
Dipole, Da:	5.08
IP(EA), eV:	-8.89(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-tert-butyl-6-ethylsulfanylpyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CCSC1=NC(=CN=C1C(C)(C)C)C(=O)N

DOS

IR

Vibrations