Geometry & MOs

Info

ID:

128044

PubChem CID:

51028518

Reduced:

N2O3C23H26 (1)

Stoich.:

A2B3C23D26 (1)

Weight, g/mol:

628.293722

ΔHf, kcal/mol:

-87.71

Dipole, Da:

7.29

IP(EA), eV:

 -8.24(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,9R,10S,17R)-28,31,34-trioxa-24,38-diazaoctacyclo[38.3.1.118,22.02,17.03,8.09,43.010,19.011,16]pentatetraconta-1(43),3,5,7,11,13,15,18,20,22(45),40(44),41-dodecaene-23,39-dione

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C[C@H]3C[C@@H]4CC[C@H]3C4

DOS

IR

Vibrations