Geometry & MOs

Info

ID:	232459
PubChem CID:	87576232
Reduced:	O2C8H9 (2)
Stoich.:	A2B8C9 (2)
Weight, g/mol:	584.997043
ΔH_f, kcal/mol:	-119.76
Dipole, Da:	2.62
IP(EA), eV:	-9.35(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9,18,21-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3(8),4,6,10,12(17),13,15,19,22(27),23,25-dodecaene-5,14,25-trisulfonic acid

Drug info:

PubChemData

Smile

C=COC(=O)OC1(CCCCC1C2=CC=CC=C2)C=O

DOS

IR

Vibrations