Geometry & MOs

Info

ID:	27539
PubChem CID:	821878
Reduced:	ClNSO2H12C14 (1)
Stoich.:	ABCD2E12F14 (1)
Weight, g/mol:	293.027728
ΔH_f, kcal/mol:	-35.74
Dipole, Da:	4.66
IP(EA), eV:	-8.88(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R)-3-(5-chloro-1-benzothiophen-3-yl)-2-cyanopropanoate

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H](CC1=CSC2=C1C=C(C=C2)Cl)C#N

DOS

IR

Vibrations