Geometry & MOs

Info

ID:	137524
PubChem CID:	52219567
Reduced:	NSCl3O4H14C17 (1)
Stoich.:	ABC3D4E14F17 (1)
Weight, g/mol:	432.970912
ΔH_f, kcal/mol:	-139.77
Dipole, Da:	4.5
IP(EA), eV:	-9.55(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxopropan-2-yl] 2,3,6-trichlorobenzoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)C1=CC=C(S1)CNC(=O)C)OC(=O)C2=C(C=CC(=C2Cl)Cl)Cl

DOS

IR

Vibrations