Geometry & MOs

Info

ID:	231821
PubChem CID:	87574726
Reduced:	ClFNO5H17C20 (1)
Stoich.:	ABCD5E17F20 (1)
Weight, g/mol:	315.041273
ΔH_f, kcal/mol:	-88.72
Dipole, Da:	8.51
IP(EA), eV:	-9.01(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,2-dioxooxathiazolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C([N+](=CC=C1)[O-])C2=CC(=C(C=C2)OC)F.C1=CC(=CC(=C1)Cl)C(=O)OO

DOS

IR

Vibrations