Geometry & MOs

Info

ID:	47065
PubChem CID:	10529269
Reduced:	ClS2N3O3H18C24 (1)
Stoich.:	AB2C3D3E18F24 (1)
Weight, g/mol:	496.111795
ΔH_f, kcal/mol:	3.66
Dipole, Da:	8.88
IP(EA), eV:	-8.42(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,5R)-3-acetyloxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 7-oxofuro[3,2-g]chromene-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C/C(=O)NC2=NC(=CS2)C3=CC=CC=C3NS(=O)(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations