Geometry & MOs

Info

ID:	276024
PubChem CID:	103820018
Reduced:	OSN6C9H14 (1)
Stoich.:	ABC6D9E14 (1)
Weight, g/mol:	229.088498
ΔH_f, kcal/mol:	60.95
Dipole, Da:	6.8
IP(EA), eV:	-9.15(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-1H-pyrazin-2-one

Drug info:

PubChemData

Smile

CC(C(CO)SC)NC1=CN=CC2=NN=NN12

DOS

IR

Vibrations