Geometry & MOs

Info

ID:	138729
PubChem CID:	52416783
Reduced:	NO2S2C11H11 (1)
Stoich.:	AB2C2D11E11 (1)
Weight, g/mol:	293.054421
ΔH_f, kcal/mol:	-27.43
Dipole, Da:	2.41
IP(EA), eV:	-9.2(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-2-hydroxy-2-thiophen-3-ylethyl]-2-methylsulfanylbenzamide

Drug info:

PubChemData

Smile

C1=CSC=C1[C@@H](CNC(=O)C2=CSC=C2)O

DOS

IR

Vibrations