Geometry & MOs

Info

ID:	191200
PubChem CID:	78117012
Reduced:	SeN2O11C28H28 (1)
Stoich.:	AB2C11D28E28 (1)
Weight, g/mol:	480.04357
ΔH_f, kcal/mol:	-416.68
Dipole, Da:	7.25
IP(EA), eV:	-8.62(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-oxo-1,2-benzoselenazol-2-yl)-N-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC(=O)OCC1C(C(C(C(O1)NC(=O)C2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4[Se]3)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations