Geometry & MOs

Info

ID:	57329
PubChem CID:	22395668
Reduced:	NPC7O9H14 (1)
Stoich.:	ABC7D9E14 (1)
Weight, g/mol:	344.110732
ΔH_f, kcal/mol:	-469.15
Dipole, Da:	2.47
IP(EA), eV:	-10.54(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5-dihydroxy-3-(1,5,6-trihydroxy-3-methylcyclohex-3-ene-1-carbonyl)oxycyclohexene-1-carboxylic acid

Drug info:

PubChemData

Smile

C1C(C(C(C(O1)N(CC(=O)O)P(=O)(O)O)O)O)O

DOS

IR

Vibrations