Geometry & MOs

Info

ID:

311541

PubChem CID:

126593634

Reduced:

N9O10C47H87 (1)

Stoich.:

A9B10C47D87 (1)

Weight, g/mol:

304.167459

ΔHf, kcal/mol:

-559.63

Dipole, Da:

3.56

IP(EA), eV:

 -9.22(0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 4-[(1R,2R,3aS,8bS)-1-ethyl-2-hydroxy-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-5-yl]butanoate

Drug info:

PubChemData

Smile

CCCC(=O)N(C)C(CO)C(=O)N(C)[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)NC

DOS

IR

Vibrations