Geometry & MOs

Info

ID:	39504
PubChem CID:	8141066
Reduced:	Cl2N2O3C19H20 (1)
Stoich.:	A2B2C3D19E20 (1)
Weight, g/mol:	398.043627
ΔH_f, kcal/mol:	-110.86
Dipole, Da:	3.44
IP(EA), eV:	-9.24(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-4,5-dimethoxy-2-nitrobenzamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1C(=O)NCC(=O)N[C@@H](C)C2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations