Geometry & MOs

Info

ID:	138848
PubChem CID:	52434631
Reduced:	ClSN3O5C19H20 (1)
Stoich.:	ABC3D5E19F20 (1)
Weight, g/mol:	439.085636
ΔH_f, kcal/mol:	-81.45
Dipole, Da:	5.08
IP(EA), eV:	-9.47(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 5-[[(2R)-2-(4-chlorophenyl)-2-methoxyacetyl]amino]-3-methylthiophene-2,4-dicarboxylate

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations