Geometry & MOs

Info

ID:	32746
PubChem CID:	7847804
Reduced:	OSCl2N2C14H16 (1)
Stoich.:	ABC2D2E14F16 (1)
Weight, g/mol:	291.012077
ΔH_f, kcal/mol:	-21.54
Dipole, Da:	4.07
IP(EA), eV:	-9.31(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-1-cyanoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)[C@@](C)(C#N)NC(=O)CSC1=C(C=CC=C1Cl)Cl

DOS

IR

Vibrations