Geometry & MOs

Info

ID:	335651
PubChem CID:	127254513
Reduced:	FSO2N4H19C22 (1)
Stoich.:	ABC2D4E19F22 (1)
Weight, g/mol:	380.173607
ΔH_f, kcal/mol:	-24.84
Dipole, Da:	7.44
IP(EA), eV:	-8.41(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-methyl-11-oxo-10-(2-phenylmethoxyethyl)-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carboxamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=C(C=CC(=C1)N2CC(=O)C(=C2N)C3=NC(=CS3)C4=CC=CC=C4)F

DOS

IR

Vibrations