Geometry & MOs

Info

ID:	403021
PubChem CID:	135058355
Reduced:	NSF4O5H15C17 (1)
Stoich.:	ABC4D5E15F17 (1)
Weight, g/mol:	401.108565
ΔH_f, kcal/mol:	-340.85
Dipole, Da:	5.68
IP(EA), eV:	-9.4(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[2-[hydroxy(diphenyl)methyl]-1,3-thiazol-4-yl]benzoate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C(=O)C2=C(C(=CC=C2)OC)CNS(=O)(=O)C(F)(F)F)F

DOS

IR

Vibrations