Geometry & MOs

Info

ID:	32870
PubChem CID:	7849017
Reduced:	SN3O4C17H19 (1)
Stoich.:	AB3C4D17E19 (1)
Weight, g/mol:	371.029743
ΔH_f, kcal/mol:	-118.99
Dipole, Da:	3.43
IP(EA), eV:	-9.29(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-oxo-2-thiophen-2-ylethyl) 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate

Drug info:

PubChemData

Smile

C[C@@H](CN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCCCC#N)O

DOS

IR

Vibrations