Geometry & MOs

Info

ID:

323731

PubChem CID:

126675858

Reduced:

N9C19H21 (1)

Stoich.:

A9B19C21 (1)

Weight, g/mol:

892.520902

ΔHf, kcal/mol:

144.39

Dipole, Da:

3.18

IP(EA), eV:

 -8.47(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-[(1S,2R,5R,7S,9S,10R,14R,15S,19S)-15-[(2R,5S)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-19-ethyl-3-fluoro-14-methyl-13,21-dioxo-7-[(2R,4R,5S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy-20-oxatetracyclo[10.10.0.02,10.05,9]docos-11-en-4-yl]-1,2-dihydrotriazol-5-yl]methyl acetate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C2=CN=CN2)CN3C=C(C=N3)CC4=CC(=NC(=C4N)NN)N

DOS

IR

Vibrations