Geometry & MOs

Info

ID:	208547
PubChem CID:	80542546
Reduced:	S2Cl3N5H6C11 (1)
Stoich.:	A2B3C5D6E11 (1)
Weight, g/mol:	333.031431
ΔH_f, kcal/mol:	105.24
Dipole, Da:	4.1
IP(EA), eV:	-8.97(-2.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2-methylsulfanyl-N-[2-methyl-5-(trifluoromethyl)phenyl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CSC1=NC(=CC(=N1)Cl)NC2=C(C=C(C3=C2N=S=N3)Cl)Cl

DOS

IR

Vibrations