Geometry & MOs

Info

ID:

14028

PubChem CID:

401685

Reduced:

N2O5C26H32 (1)

Stoich.:

A2B5C26D32 (1)

Weight, g/mol:

452.231122

ΔHf, kcal/mol:

-205.95

Dipole, Da:

7.33

IP(EA), eV:

 -9.47(0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-O-benzyl 12-O-ethyl (5aS,5bR,11aR,12S)-11-oxo-2,3,4,5a,5b,6,7,8,9,11a,12,12a-dodecahydroindolizino[1,2-g]quinoline-1,12-dicarboxylate

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1[C@H]2[C@H](C=C3C1N(CCC3)C(=O)OCC4=CC=CC=C4)[C@H]5CCCCN5C2=O

DOS

IR

Vibrations