Geometry & MOs

Info

ID:	371981
PubChem CID:	131283798
Reduced:	SCl2N2O2H6C8 (1)
Stoich.:	AB2C2D2E6F8 (1)
Weight, g/mol:	195.056325
ΔH_f, kcal/mol:	-35.21
Dipole, Da:	2.67
IP(EA), eV:	-10.48(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-6-ethynyl-2-propan-2-ylpyrimidin-5-amine

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1S(=O)(=O)Cl)CN)C#N)Cl

DOS

IR

Vibrations