Geometry & MOs

Info

ID:	160916
PubChem CID:	57390234
Reduced:	NSF3O5H24C25 (1)
Stoich.:	ABC3D5E24F25 (1)
Weight, g/mol:	472.090665
ΔH_f, kcal/mol:	-303.87
Dipole, Da:	11.38
IP(EA), eV:	-9.41(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[2-(4-methoxybenzoyl)-3-methyl-5-oxofuro[3,2-g]chromen-6-yl]methylidene]-1,3-diazinane-2,4,6-trione

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)OCC3=CC=CC=C3C(F)(F)F

DOS

IR

Vibrations