Geometry & MOs

Info

ID:	320620
PubChem CID:	126662120
Reduced:	N2O5C26H40 (1)
Stoich.:	A2B5C26D40 (1)
Weight, g/mol:	408.082016
ΔH_f, kcal/mol:	-203.43
Dipole, Da:	1.83
IP(EA), eV:	-8.9(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaene-3-sulfonic acid

Drug info:

PubChemData

Smile

CCC(CCC(=C)C1=CC=C(C=C1)OCC2CCN(CC2)C(=O)OC(C)(C)C)C(=O)NOC

DOS

IR

Vibrations