Geometry & MOs

Info

ID:	404101
PubChem CID:	135064964
Reduced:	ON2H5C6 (2)
Stoich.:	AB2C5D6 (2)
Weight, g/mol:	290.06128
ΔH_f, kcal/mol:	40.42
Dipole, Da:	4.0
IP(EA), eV:	-10.28(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-oxo-1-thiophen-2-ylpropan-2-yl) 4-methoxybenzoate

Drug info:

PubChemData

Smile

C1C[C@@](OC1=O)(CN=[N+]=[N-])C2=CC=C(C=C2)C#N

DOS

IR

Vibrations