Geometry & MOs

Info

ID:	26976
PubChem CID:	808522
Reduced:	NOS2H17C19 (1)
Stoich.:	ABC2D17E19 (1)
Weight, g/mol:	283.067843
ΔH_f, kcal/mol:	41.47
Dipole, Da:	3.81
IP(EA), eV:	-8.9(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4S,5S)-5-(4-fluorophenyl)-5-methyl-2-sulfanylidene-1,3-oxazolidine-4-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1[C@@H]2C3=C(CCN2C(=O)C4=CC=CS4)SC=C3

DOS

IR

Vibrations