Geometry & MOs

Info

ID:	16564
PubChem CID:	472837
Reduced:	OSN3C11H17 (1)
Stoich.:	ABC3D11E17 (1)
Weight, g/mol:	239.109233
ΔH_f, kcal/mol:	-28.45
Dipole, Da:	5.15
IP(EA), eV:	-8.9(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethylsulfanyl-5-(2-methylpropyl)pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CCSC1=NC(=CN=C1CC(C)C)C(=O)N

DOS

IR

Vibrations