Geometry & MOs

Info

ID:	17316
PubChem CID:	492824
Reduced:	BrClSN4H10C11 (1)
Stoich.:	ABCD4E10F11 (1)
Weight, g/mol:	343.94981
ΔH_f, kcal/mol:	57.75
Dipole, Da:	3.38
IP(EA), eV:	-9.01(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-6-chloro-2-[(4-methylpyridin-2-yl)methylsulfanyl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1)CSC2=NC(=C(C(=N2)Cl)Br)N

DOS

IR

Vibrations