Geometry & MOs

Info

ID:	165348
PubChem CID:	74535857
Reduced:	FSN2O6C23H24 (1)
Stoich.:	ABC2D6E23F24 (1)
Weight, g/mol:	373.118832
ΔH_f, kcal/mol:	-180.83
Dipole, Da:	2.5
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.769261
Charge, e:	-1

Chem-info

IUPAC name:

[1-(5-methyl-1,2-oxazol-3-yl)-4,5-dioxo-2-phenylpyrrolidin-3-ylidene]-(4-methylphenyl)methanolate

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCOC)C3=CC=C(C=C3)F)[O-]

DOS

IR

Vibrations