Geometry & MOs

Info

ID:

214553

PubChem CID:

85083183

Reduced:

PSN2O5C29H29 (1)

Stoich.:

ABC2D5E29F29 (1)

Weight, g/mol:

548.262147

ΔHf, kcal/mol:

-129.2

Dipole, Da:

2.47

IP(EA), eV:

 -8.89(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1,3,10-triacetyloxy-5-methoxy-7,8-dimethyl-7-(3-methylpenta-2,4-dienyl)-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-9-yl] acetate

Drug info:

PubChemData

Smile

CCOC(=O)C(=CP(=O)(OC)OC)C1=CSC(=N1)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations