Geometry & MOs

Info

ID:	32940
PubChem CID:	7849658
Reduced:	SN2O4C22H24 (1)
Stoich.:	AB2C4D22E24 (1)
Weight, g/mol:	362.082409
ΔH_f, kcal/mol:	-140.98
Dipole, Da:	2.18
IP(EA), eV:	-8.48(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-methoxyphenyl)-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate

Drug info:

PubChemData

Smile

C[C@H]1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)COC(=O)/C=C/C3=CC=CC=C3C

DOS

IR

Vibrations