Geometry & MOs

Info

ID:

13814

PubChem CID:

398698

Reduced:

NSO7C27H29 (1)

Stoich.:

ABC7D27E29 (1)

Weight, g/mol:

511.166473

ΔHf, kcal/mol:

-196.88

Dipole, Da:

3.07

IP(EA), eV:

 -8.44(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(7aR)-7,9-dimethoxy-3-(thiophen-2-ylmethyl)-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline;but-2-enedioic acid

Drug info:

PubChemData

Smile

COC1C=CC2C3CC4=C5C2([C@H]1OC5=C(C=C4)OC)CCN3CC6=CC=CS6.C(=CC(=O)O)C(=O)O

DOS

IR

Vibrations