Geometry & MOs

Info

ID:	192852
PubChem CID:	78320852
Reduced:	ClSN3O4F6H24C31 (1)
Stoich.:	ABC3D4E6F24G31 (1)
Weight, g/mol:	347.149699
ΔH_f, kcal/mol:	-374.56
Dipole, Da:	8.84
IP(EA), eV:	-9.46(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-[[2-(trifluoromethyl)phenyl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine]

Drug info:

PubChemData

Smile

CCN(C(=C)C(=O)NCC1=CC(=NC(=C1)C2=CC=C(C=C2)OC(F)(F)F)C3=CC=C(C=C3)C(F)(F)F)S(=O)(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations