Geometry & MOs

Info

ID:	135677
PubChem CID:	51913979
Reduced:	BrN3O5H18C20 (1)
Stoich.:	AB3C5D18E20 (1)
Weight, g/mol:	435.168188
ΔH_f, kcal/mol:	-144.02
Dipole, Da:	2.23
IP(EA), eV:	-9.66(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 2,6-dimethoxybenzoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=O)N[C@H]1C2=CC=CC=C2)COC(=O)C3=CC(=CN=C3)Br

DOS

IR

Vibrations