Geometry & MOs

Info

ID:

323720

PubChem CID:

126675819

Reduced:

FON8C21H29 (1)

Stoich.:

ABC8D21E29 (1)

Weight, g/mol:

773.471412

ΔHf, kcal/mol:

-1.87

Dipole, Da:

2.83

IP(EA), eV:

 -8.21(0.0)

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-methylpropanamide

Drug info:

PubChemData

Smile

C1CNCC(C1(C2=CC=CC(=C2)CN=C/C(=C\N)/CC3=CC(=NC(=C3N)NN)N)O)F

DOS

IR

Vibrations