Geometry & MOs

Info

ID:	17318
PubChem CID:	492834
Reduced:	ClSN5H10C12 (1)
Stoich.:	ABC5D10E12 (1)
Weight, g/mol:	291.034544
ΔH_f, kcal/mol:	90.39
Dipole, Da:	6.18
IP(EA), eV:	-9.24(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(4-amino-6-chloropyrimidin-2-yl)sulfanylethyl]pyridine-4-carbonitrile

Drug info:

PubChemData

Smile

CC(C1=NC=CC(=C1)C#N)SC2=NC(=CC(=N2)Cl)N

DOS

IR

Vibrations