Geometry & MOs

Info

ID:

81772

PubChem CID:

49855128

Reduced:

N2H14C19 (1)

Stoich.:

A2B14C19 (1)

Weight, g/mol:

499.220617

ΔHf, kcal/mol:

101.76

Dipole, Da:

1.66

IP(EA), eV:

 -7.87(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S,5S,6R,9S,10S,18R)-5,18-dihydroxy-6-(hydroxymethyl)-2,6,10-trimethyl-16-oxo-14-pyridin-3-yl-11,15-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-12(17),13-dien-9-yl] acetate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3N2C=CC4=C3NC5=CC=CC=C45

DOS

IR

Vibrations