Geometry & MOs

Info

ID:	312749
PubChem CID:	126607808
Reduced:	O7C19H28 (1)
Stoich.:	A7B19C28 (1)
Weight, g/mol:	330.071451
ΔH_f, kcal/mol:	-232.09
Dipole, Da:	2.79
IP(EA), eV:	-8.25(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-sulfanyl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaen-2-ol

Drug info:

PubChemData

Smile

C/C=C(/C(C1=C(C(=C(C=C1)OC)OC)OC)O)\C(=C(/COC)\OC)\OC

DOS

IR

Vibrations