Geometry & MOs

Info

ID:	39527
PubChem CID:	8141190
Reduced:	SCl2N2O3H10C17 (1)
Stoich.:	AB2C2D3E10F17 (1)
Weight, g/mol:	374.087827
ΔH_f, kcal/mol:	-28.48
Dipole, Da:	3.35
IP(EA), eV:	-8.6(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]naphthalene-2-carboxamide

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)C3=CSC(=N3)NC(=O)C4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations