Geometry & MOs

Info

ID:

307880

PubChem CID:

125310385

Reduced:

N3O5H23C27 (1)

Stoich.:

A3B5C23D27 (1)

Weight, g/mol:

413.256609

ΔHf, kcal/mol:

-71.85

Dipole, Da:

5.84

IP(EA), eV:

 -9.14(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,4R,5R,8R,9R,12S,14S)-4-[[[(2R)-2-hydroxy-2-phenylpropyl]-methylamino]methyl]-8,12-dimethyl-2,13-dioxatetracyclo[7.5.0.01,5.012,14]tetradecan-3-one

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)[C@@H]2[C@@H]3C(=C4C=CC=CC4=N3)C[C@H]5N2C(=O)CN(C5=O)CC6=CC=CO6

DOS

IR

Vibrations