Geometry & MOs

Info

ID:	204485
PubChem CID:	79971129
Reduced:	ClFOS2C12H12 (1)
Stoich.:	ABCD2E12F12 (1)
Weight, g/mol:	348.00289
ΔH_f, kcal/mol:	-77.92
Dipole, Da:	0.87
IP(EA), eV:	-8.85(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-4-chloro-6-cyclopropyl-2-(4-cyclopropylphenyl)pyrimidine

Drug info:

PubChemData

Smile

C1CSC(CS1)C(=O)CC2=C(C=C(C=C2)F)Cl

DOS

IR

Vibrations