Geometry & MOs

Info

ID:	43958
PubChem CID:	10322418
Reduced:	ClF2N2O3H19C25 (1)
Stoich.:	AB2C2D3E19F25 (1)
Weight, g/mol:	469.057119
ΔH_f, kcal/mol:	-133.43
Dipole, Da:	2.91
IP(EA), eV:	-8.84(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(N1C2=CC(=CC(=C2)N)C(=O)O)C3=C(C=CC(=C3)Cl)OCC4=C(C=CC=C4F)F

DOS

IR

Vibrations