Geometry & MOs

Info

ID:	32917
PubChem CID:	7849438
Reduced:	NSO6C20H21 (1)
Stoich.:	ABC6D20E21 (1)
Weight, g/mol:	390.11371
ΔH_f, kcal/mol:	-212.87
Dipole, Da:	10.47
IP(EA), eV:	-9.45(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-acetyl-2-ethoxyphenyl)methyl 2-methyl-5-methylsulfonylbenzoate

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)C)C

DOS

IR

Vibrations