Geometry & MOs

Info

ID:

307839

PubChem CID:

125309776

Reduced:

NO10C25H31 (1)

Stoich.:

AB10C25D31 (1)

Weight, g/mol:

331.110296

ΔHf, kcal/mol:

-397.43

Dipole, Da:

4.93

IP(EA), eV:

 -9.11(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(8S,9R)-10-methyl-4-propan-2-yl-8-thiophen-3-yl-2,4,5,10,12-pentazatricyclo[7.3.0.03,7]dodeca-1(12),3(7)-diene-6,11-dione

Drug info:

PubChemData

Smile

C[C@@H]1[C@H]([C@H](C[C@H](O1)O[C@@H]2C[C@](CC3=C(C4=C(C(=C23)O)C(=O)C(=CC4)C(=C)OC)O)(C(=O)CO)O)N)O

DOS

IR

Vibrations