Geometry & MOs

Info

ID:	449152
PubChem CID:	135296399
Reduced:	BrSN2O3C25H25 (1)
Stoich.:	ABC2D3E25F25 (1)
Weight, g/mol:	475.103828
ΔH_f, kcal/mol:	-23.9
Dipole, Da:	6.78
IP(EA), eV:	-8.44(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(3-ethylsulfonyl-5-pyrimidin-2-ylpyridin-2-yl)-3-methylimidazol-4-yl]-2-(trifluoromethyl)pyrimidine

Drug info:

PubChemData

Smile

CNCCNCCOC1=CC=C(C=C1)OC2=C(SC3=C2C=CC(=C3)O)C4=CC=C(C=C4)Br

DOS

IR

Vibrations