Geometry & MOs

Info

ID:	411135
PubChem CID:	135083945
Reduced:	LiS3H21C22 (1)
Stoich.:	AB3C21D22 (1)
Weight, g/mol:	454.141638
ΔH_f, kcal/mol:	48.55
Dipole, Da:	8.61
IP(EA), eV:	-7.44(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,13-dimethoxy-2-phenyl-21,22-dioxahexacyclo[11.7.1.13,11.02,12.04,9.014,19]docosa-4,6,8,14,16,18-hexaene-10,20-dione

Drug info:

PubChemData

Smile

[Li+].C1=CC=C(C=C1)CS[C-](SCC2=CC=CC=C2)SCC3=CC=CC=C3

DOS

IR

Vibrations