Geometry & MOs

Info

ID:	157669
PubChem CID:	56436390
Reduced:	SN2O3C17H22 (1)
Stoich.:	AB2C3D17E22 (1)
Weight, g/mol:	318.069258
ΔH_f, kcal/mol:	-96.94
Dipole, Da:	1.24
IP(EA), eV:	-8.83(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethylsulfanylethyl 3-chloro-4-ethoxy-5-methoxybenzoate

Drug info:

PubChemData

Smile

CCSCCOC(=O)C1=NN(C(=O)CC1)C2=C(C=CC(=C2)C)C

DOS

IR

Vibrations