Geometry & MOs

Info

ID:	146422
PubChem CID:	53687540
Reduced:	NOC9H13 (1)
Stoich.:	ABC9D13 (1)
Weight, g/mol:	1140.092754
ΔH_f, kcal/mol:	-9.17
Dipole, Da:	1.71
IP(EA), eV:	-9.8(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R,3R,4S,5R)-2,3,4,5-tetrakis[(2,5-dicarboxybenzoyl)oxy]-6-oxohexoxy]carbonylterephthalic acid

Drug info:

PubChemData

Smile

C=CCCCCC1=NC=CO1

DOS

IR

Vibrations