Geometry & MOs

Info

ID:	164962
PubChem CID:	74478404
Reduced:	NSF2O5H14C18 (1)
Stoich.:	ABC2D5E14F18 (1)
Weight, g/mol:	306.076633
ΔH_f, kcal/mol:	-168.21
Dipole, Da:	2.12
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.779758
Charge, e:	-1

Chem-info

IUPAC name:

4-[[2-(2-methylphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]benzoate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)C=CC2=CC(=C(C=C2)F)F)S(=O)(=O)NCCC(=O)[O-]

DOS

IR

Vibrations