Geometry & MOs

Info

ID:	139325
PubChem CID:	52511030
Reduced:	FON6C19H22 (1)
Stoich.:	ABC6D19E22 (1)
Weight, g/mol:	360.150764
ΔH_f, kcal/mol:	49.88
Dipole, Da:	8.37
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752253
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=NN=C4N3C=CC=C4)F

DOS

IR

Vibrations