Geometry & MOs

Info

ID:	178327
PubChem CID:	76310596
Reduced:	Cl2N3O3H27C32 (1)
Stoich.:	A2B3C3D27E32 (1)
Weight, g/mol:	425.02126
ΔH_f, kcal/mol:	-15.08
Dipole, Da:	4.05
IP(EA), eV:	-9.18(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-5-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-oxo-4-(trifluoromethyl)pyridin-3-yl]oxybenzonitrile

Drug info:

PubChemData

Smile

CN1C[C@H]([C@]2([C@]13C4=CC=CC=C4NC3=O)CN(C/C(=C\C5=CC=C(C=C5)Cl)/C2=O)C(=O)C=C)C6=CC=C(C=C6)Cl

DOS

IR

Vibrations