Geometry & MOs

Info

ID:	162335
PubChem CID:	57394334
Reduced:	NOSH10C11 (2)
Stoich.:	ABCD10E11 (2)
Weight, g/mol:	432.141612
ΔH_f, kcal/mol:	98.26
Dipole, Da:	8.88
IP(EA), eV:	-8.44(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,3'S)-N-[(2-chlorophenyl)methyl]-N-cyclopropyl-5,6-difluorospiro[1H-2-benzofuran-3,4'-piperidine]-3'-carboxamide

Drug info:

PubChemData

Smile

CN1C2=C(C3CCC(C2)N3)C4=C1C=CC(=C4)S(=O)(=O)C5=CSC6=CC=CC=C65

DOS

IR

Vibrations