Geometry & MOs

Info

ID:	304344
PubChem CID:	124546086
Reduced:	S2O4N5C26H33 (1)
Stoich.:	A2B4C5D26E33 (1)
Weight, g/mol:	331.141973
ΔH_f, kcal/mol:	-87.02
Dipole, Da:	7.13
IP(EA), eV:	-8.7(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7-methoxy-1-benzofuran-2-yl)-[(1S,6S,9S)-9-methoxy-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]methanone

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2OCC)[C@@H](CCSC)NC(=O)C3=CC=C(C=C3)OC

DOS

IR

Vibrations