Geometry & MOs

Info

ID:

323718

PubChem CID:

126675816

Reduced:

N3O3C6H7 (3)

Stoich.:

A3B3C6D7 (3)

Weight, g/mol:

759.455762

ΔHf, kcal/mol:

-151.13

Dipole, Da:

2.84

IP(EA), eV:

 -9.87(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(3S,6R)-6-[[(1S,2R,5S,7R,9R,10S,14R,15S,19S)-19-ethyl-14-methyl-13,21-dioxo-7-[(2R,5S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy-20-oxatetracyclo[10.10.0.02,10.05,9]docosa-3,11-dien-15-yl]oxy]-2-methyloxan-3-yl]-N-methylacetamide

Drug info:

PubChemData

Smile

CC(=O)O[C@@H]1[C@@H](CC([C@H](C1OC(=O)C)O[C@@H]2[C@H](C(C=C(O2)C=O)OC(=O)C)N=[N+]=[N-])N=[N+]=[N-])N=[N+]=[N-]

DOS

IR

Vibrations