Geometry & MOs

Info

ID:

393214

PubChem CID:

135019756

Reduced:

NO6C25H35 (1)

Stoich.:

AB6C25D35 (1)

Weight, g/mol:

555.283217

ΔHf, kcal/mol:

-228.09

Dipole, Da:

2.54

IP(EA), eV:

 -8.33(-0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3E,5E,7R,12S,13S,14E,16S)-8,22-dihydroxy-7-methoxy-3,13,15-trimethyl-10,18-dioxo-11-oxa-19-azatricyclo[18.3.1.18,12]pentacosa-1(24),3,5,14,20,22-hexaen-16-yl] 2-methylpropanoate

Drug info:

PubChemData

Smile

C[C@H]1/C=C(/[C@H](CC(=O)NC2=CC(=CC(=C2)C/C(=C/C=C/[C@H]([C@@H](C[C@@H]1O)O)OC)/C)O)O)\C

DOS

IR

Vibrations