Geometry & MOs

Info

ID:	49583
PubChem CID:	11533310
Reduced:	ClOSF4N5H12C21 (1)
Stoich.:	ABCD4E5F12G21 (1)
Weight, g/mol:	493.89882
ΔH_f, kcal/mol:	-116.45
Dipole, Da:	5.22
IP(EA), eV:	-9.22(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(E)-1,2-diiodo-2-phenylethenyl]-2,4-dimethoxypyrimidine

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)C(F)(F)F)F)C2=CSC(=N2)NC(=O)C3=CC=C(C=C3)NC4=CC(=NC=N4)Cl

DOS

IR

Vibrations