Geometry & MOs

Info

ID:	339129
PubChem CID:	127260508
Reduced:	SO2C15H22 (1)
Stoich.:	AB2C15D22 (1)
Weight, g/mol:	298.120509
ΔH_f, kcal/mol:	-94.81
Dipole, Da:	1.32
IP(EA), eV:	-8.98(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-acetyl-3-methoxy-4,5-dimethylphenyl) benzoate

Drug info:

PubChemData

Smile

CCCC(C(CC)COC(=O)C1=CC=CC=C1)S

DOS

IR

Vibrations