Geometry & MOs

Info

ID:	276017
PubChem CID:	103819981
Reduced:	OSN3C15H17 (1)
Stoich.:	ABC3D15E17 (1)
Weight, g/mol:	213.093583
ΔH_f, kcal/mol:	19.37
Dipole, Da:	4.65
IP(EA), eV:	-8.62(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylsulfanyl-3-(pyrazin-2-ylamino)butan-1-ol

Drug info:

PubChemData

Smile

CC(C(CO)SC)NC1=NC2=CC=CC=C2C=C1C#N

DOS

IR

Vibrations