Geometry & MOs

Info

ID:	224907
PubChem CID:	85670095
Reduced:	NSCl2O2H13C18 (1)
Stoich.:	ABC2D2E13F18 (1)
Weight, g/mol:	532.085776
ΔH_f, kcal/mol:	-4.56
Dipole, Da:	4.67
IP(EA), eV:	-9.5(-2.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[[4-(trifluoromethyl)-2-[4-[4-(trifluoromethyl)-1,3-oxazol-2-yl]phenyl]-1,3-oxazol-5-yl]oxy]phenyl]phenol

Drug info:

PubChemData

Smile

CC(=O)C1=C(C2=CC(=CC(C2=NC1=O)Cl)Cl)SCC3=CC=CC=C3

DOS

IR

Vibrations