Geometry & MOs

Info

ID:	407446
PubChem CID:	135080141
Reduced:	SO2N3C11H11 (1)
Stoich.:	AB2C3D11E11 (1)
Weight, g/mol:	204.078644
ΔH_f, kcal/mol:	-10.56
Dipole, Da:	4.66
IP(EA), eV:	-8.92(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-cyclopropyl-2-oxoethyl) benzoate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)NC(=S)C(C#N)C(=O)N

DOS

IR

Vibrations