Geometry & MOs

Info

ID:	191440
PubChem CID:	78146308
Reduced:	O2N3H17C23 (1)
Stoich.:	A2B3C17D23 (1)
Weight, g/mol:	466.147512
ΔH_f, kcal/mol:	118.25
Dipole, Da:	8.0
IP(EA), eV:	-8.47(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-hydroxy-8-methyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-2-yl] benzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=NNC2=CC=CC3=CC=CC=C32)C4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations