Geometry & MOs

Info

ID:	32979
PubChem CID:	7849915
Reduced:	NO2C10H10 (2)
Stoich.:	AB2C10D10 (2)
Weight, g/mol:	391.108959
ΔH_f, kcal/mol:	-122.24
Dipole, Da:	6.81
IP(EA), eV:	-9.14(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1/C=C/C(=O)O[C@@H](C)C(=O)NC2=CC=C(C=C2)C(=O)N

DOS

IR

Vibrations