Geometry & MOs

Info

ID:	399899
PubChem CID:	135043622
Reduced:	O3C12H16 (1)
Stoich.:	A3B12C16 (1)
Weight, g/mol:	650.197439
ΔH_f, kcal/mol:	-137.1
Dipole, Da:	0.72
IP(EA), eV:	-8.77(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

31-(benzenesulfonyl)-5,19,27-trimethoxy-13,17-dioxaheptacyclo[16.9.3.110,14.02,7.011,16.022,30.025,29]hentriaconta-1(27),2(7),3,5,15,18,20,22(30),25,28-decaen-12-one

Drug info:

PubChemData

Smile

CCC(=O)OCC1=CC(=C(C(=C1)C)O)C

DOS

IR

Vibrations