Geometry & MOs

Info

ID:	178328
PubChem CID:	76310613
Reduced:	ClSO2F3N3H11C18 (1)
Stoich.:	ABC2D3E3F11G18 (1)
Weight, g/mol:	408.060088
ΔH_f, kcal/mol:	-128.93
Dipole, Da:	6.08
IP(EA), eV:	-9.62(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC=N1)CN2C=CC(=C(C2=O)OC3=CC(=CC(=C3)C#N)Cl)C(F)(F)F

DOS

IR

Vibrations