Geometry & MOs

Info

ID:	230552
PubChem CID:	87571346
Reduced:	ClNaOSF2N3H11C17 (1)
Stoich.:	ABCDE2F3G11H17 (1)
Weight, g/mol:	395.082744
ΔH_f, kcal/mol:	-58.16
Dipole, Da:	13.35
IP(EA), eV:	-7.68(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2,3-dihydroxy-6-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]benzenesulfonamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)[C@@H]2[C@@](O2)(CN3C(=NC=N3)[S-])C4=C(C=C(C=C4)F)F)Cl.[Na+]

DOS

IR

Vibrations