Geometry & MOs

Info

ID:	44776
PubChem CID:	10505883
Reduced:	ClO11C23H23 (1)
Stoich.:	AB11C23D23 (1)
Weight, g/mol:	410.136553
ΔH_f, kcal/mol:	-192.34
Dipole, Da:	7.74
IP(EA), eV:	-8.97(-3.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,10,13,16,23,29-hexaoxatetracyclo[23.3.1.04,9.017,22]nonacosa-1(28),4,6,8,17,19,21,25-octaen-27-one

Drug info:

PubChemData

Smile

C1COC2=CC=CC=C2OCC3=CC(=[OH+])C=C(O3)COC4=CC=CC=C4OCCO1.[O-]Cl(=O)(=O)=O

DOS

IR

Vibrations