Geometry & MOs

Info

ID:	32901
PubChem CID:	7849299
Reduced:	SN2O4C18H20 (1)
Stoich.:	AB2C4D18E20 (1)
Weight, g/mol:	360.103145
ΔH_f, kcal/mol:	-121.73
Dipole, Da:	5.45
IP(EA), eV:	-8.81(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate

Drug info:

PubChemData

Smile

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC=C)C[C@@H]3CCCO3

DOS

IR

Vibrations