Geometry & MOs

Info

ID:	209884
PubChem CID:	80734591
Reduced:	ClS2N3O5C10H10 (1)
Stoich.:	AB2C3D5E10F10 (1)
Weight, g/mol:	239.003244
ΔH_f, kcal/mol:	-74.87
Dipole, Da:	6.72
IP(EA), eV:	-10.17(-2.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-6-pyrimidin-2-ylsulfanylpyrimidin-2-amine

Drug info:

PubChemData

Smile

C1CN(CCC1N=C=O)S(=O)(=O)C2=CC(=C(S2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations