Geometry & MOs

Info

ID:	33830
PubChem CID:	7888320
Reduced:	N2O5C22H24 (1)
Stoich.:	A2B5C22D24 (1)
Weight, g/mol:	408.204907
ΔH_f, kcal/mol:	-170.37
Dipole, Da:	3.33
IP(EA), eV:	-8.44(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=CC=C1OC)OC(=O)C2=CC=C(C=C2)CN3CCCC3=O

DOS

IR

Vibrations