Geometry & MOs

Info

ID:	392348
PubChem CID:	135014618
Reduced:	NO4C27H45 (1)
Stoich.:	AB4C27D45 (1)
Weight, g/mol:	381.113171
ΔH_f, kcal/mol:	-171.83
Dipole, Da:	4.33
IP(EA), eV:	-9.33(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-chloro-3-methyl-5-[(2-naphthalen-1-ylacetyl)amino]benzoate

Drug info:

PubChemData

Smile

CCCCCCCCCCC[C@@H]1C[C@@H]2[C@@H](C3N(O2)[C@H]4C5CCC(C4O3)(C5(C)C)C)C(=O)O1

DOS

IR

Vibrations