Geometry & MOs

Info

ID:	80388
PubChem CID:	49834264
Reduced:	SF2O2N6H18C20 (1)
Stoich.:	AB2C2D6E18F20 (1)
Weight, g/mol:	608.991682
ΔH_f, kcal/mol:	-36.89
Dipole, Da:	6.62
IP(EA), eV:	-9.27(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-amino-1-[3-(2,5-dioxocyclopentyl)oxy-3-oxo-1-sulfopropyl]-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromene-6,8-disulfonic acid

Drug info:

PubChemData

Smile

CCC1=NC(=C(O1)C2=CC=CC=C2)C(=O)NC3=NN(N=C3)CC4=NC(=CS4)C(C)(F)F

DOS

IR

Vibrations