Geometry & MOs

Info

ID:	21797
PubChem CID:	590464
Reduced:	NSO5H11C15 (1)
Stoich.:	ABC5D11E15 (1)
Weight, g/mol:	317.035794
ΔH_f, kcal/mol:	-131.82
Dipole, Da:	8.03
IP(EA), eV:	-9.5(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-amino-2-oxochromen-4-yl) benzenesulfonate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=O)OC3=CC=CC=C32)N

DOS

IR

Vibrations