Geometry & MOs

Info

ID:	159327
PubChem CID:	57269573
Reduced:	NSCl2O6C21H23 (1)
Stoich.:	ABC2D6E21F23 (1)
Weight, g/mol:	286.066365
ΔH_f, kcal/mol:	-224.56
Dipole, Da:	3.97
IP(EA), eV:	-9.32(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-methylsulfanylcarbonyl-4-phenylbenzoate

Drug info:

PubChemData

Smile

CCCCO[C@@H]1[C@@H]2N(C1=O)C(=C(CS2)COC(=O)C)C(=O)OCC3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations