Geometry & MOs

Info

ID:	32997
PubChem CID:	7850017
Reduced:	NO5C21H23 (1)
Stoich.:	AB5C21D23 (1)
Weight, g/mol:	351.183444
ΔH_f, kcal/mol:	-177.13
Dipole, Da:	2.25
IP(EA), eV:	-9.47(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] (E)-3-(2-methylphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1/C=C/C(=O)O[C@H](C)C(=O)C2=C(C(=C(N2)C)C(=O)OC)C

DOS

IR

Vibrations