Geometry & MOs

Info

ID:	32968
PubChem CID:	7849784
Reduced:	NO5C21H21 (1)
Stoich.:	AB5C21D21 (1)
Weight, g/mol:	361.098394
ΔH_f, kcal/mol:	-152.49
Dipole, Da:	4.67
IP(EA), eV:	-8.36(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-methylanilino)-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=CC3=C(C=C2)OCCO3

DOS

IR

Vibrations