Geometry & MOs

Info

ID:	208562
PubChem CID:	80545361
Reduced:	ClSN3C11H18 (1)
Stoich.:	ABC3D11E18 (1)
Weight, g/mol:	231.059696
ΔH_f, kcal/mol:	-0.93
Dipole, Da:	6.4
IP(EA), eV:	-8.8(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butan-2-yl-6-chloro-2-methylsulfanylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CC(C)CC(C)NC1=CC(=NC(=N1)SC)Cl

DOS

IR

Vibrations