Geometry & MOs

Info

ID:	138343
PubChem CID:	52352178
Reduced:	ClN3O4C13H14 (1)
Stoich.:	AB3C4D13E14 (1)
Weight, g/mol:	408.02402
ΔH_f, kcal/mol:	-59.38
Dipole, Da:	3.32
IP(EA), eV:	-9.72(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[3-(2-bromophenyl)propanoylamino]ethyl]-2-chlorobenzamide

Drug info:

PubChemData

Smile

C1[C@@H]([C@@H]1[N+](=O)[O-])C(=O)NCCNC(=O)C2=CC=CC=C2Cl

DOS

IR

Vibrations