Geometry & MOs

Info

ID:

313438

PubChem CID:

126614723

Reduced:

Cl4N7O8H23C30 (1)

Stoich.:

A4B7C8D23E30 (1)

Weight, g/mol:

911.550725

ΔHf, kcal/mol:

-179.79

Dipole, Da:

7.27

IP(EA), eV:

 -9.07(-1.57)

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-[(3R,5S,6S,7S)-6-hydroxy-5-methyl-7-[(2R,3S,6R)-3-methyl-6-[1-oxo-1-[2-(pyridine-4-carbonyl)hydrazinyl]butan-2-yl]oxan-2-yl]-4-oxooctan-3-yl]-3,10,12-trimethyl-4,6,8-trioxadispiro[4.1.57.35]pentadec-13-en-15-yl] acetate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1/C(=C/NCC(=O)O)/N)O)C(=O)C2=CC(=C(N2C3=C(NC(=C3Cl)Cl)C(=O)C4=C(C=C(C=C4)/C(=N/N)/C=NCC(=O)O)O)Cl)Cl

DOS

IR

Vibrations