Geometry & MOs

Info

ID:	190699
PubChem CID:	78043970
Reduced:	SO2N6H22C28 (1)
Stoich.:	AB2C6D22E28 (1)
Weight, g/mol:	598.183897
ΔH_f, kcal/mol:	88.42
Dipole, Da:	5.23
IP(EA), eV:	-8.88(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,4,5-tribenzoyloxy-1,6-dihydroxyhexan-2-yl) benzoate

Drug info:

PubChemData

Smile

CC(C1=CC2=C(C(=CC=C2)C3=C(C=NC=C3)OC)C(=O)N1C4=CC=CC=C4)NC5=C6C(=NC=N5)SC=N6

DOS

IR

Vibrations