Geometry & MOs

Info

ID:	33651
PubChem CID:	7887346
Reduced:	SO5H12C16 (1)
Stoich.:	AB5C12D16 (1)
Weight, g/mol:	339.092915
ΔH_f, kcal/mol:	-126.07
Dipole, Da:	4.17
IP(EA), eV:	-8.98(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(3-methylanilino)-1-oxopropan-2-yl] 1-benzothiophene-2-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(O1)COC(=O)C2=CC3=CC=CC=C3S2

DOS

IR

Vibrations