Geometry & MOs

Info

ID:

313430

PubChem CID:

126614706

Reduced:

NO2H12C13 (2)

Stoich.:

AB2C12D13 (2)

Weight, g/mol:

950.586776

ΔHf, kcal/mol:

-78.86

Dipole, Da:

6.12

IP(EA), eV:

 -8.14(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3S,5S,7R,9S,10S,12R,15R)-3-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyloxan-2-yl]-9-[(3S,6S,7S)-5-formyl-6-hydroxy-5-methyl-7-[(2R,3S,6R)-3-methyl-6-[1-oxo-1-[2-[(E)-3-phenylprop-2-enoyl]hydrazinyl]butan-2-yl]oxan-2-yl]octan-3-yl]-3,10,12-trimethyl-4,6,8-trioxadispiro[4.1.57.35]pentadec-13-en-15-yl] acetate

Drug info:

PubChemData

Smile

CC1=C(N(C(=C1)C(=O)C2=CC=CC=C2O)C3=C(NC(=C3C)C)C(=O)C4=CC=CC=C4O)C

DOS

IR

Vibrations