Geometry & MOs

Info

ID:	188602
PubChem CID:	77740045
Reduced:	ClNSO6C24H24 (1)
Stoich.:	ABCD6E24F24 (1)
Weight, g/mol:	477.18009
ΔH_f, kcal/mol:	-199.96
Dipole, Da:	5.49
IP(EA), eV:	-9.56(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-[(2-naphthalen-2-yl-3-oxo-1H-1,2,4-triazol-5-yl)amino]benzamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)C(CN(CCCC2=CC=C(C=C2)S(=O)(=O)C3=CC=CC(=C3)O)C(=O)O)O

DOS

IR

Vibrations