Geometry & MOs

Info

ID:

164468

PubChem CID:

74403639

Reduced:

NSF3O3H6C11 (1)

Stoich.:

ABC3D3E6F11 (1)

Weight, g/mol:

898.54022

ΔHf, kcal/mol:

-242.19

Dipole, Da:

2.17

IP(EA), eV:

 -9.9(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-ethyl-7,12,13-trihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-6-[3-hydroxy-6-methyl-4-(N-methylanilino)oxan-2-yl]oxy-10-(2-methoxyethoxymethoxyimino)-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C=C2C(=O)NC(=O)S2)OC(F)(F)F

DOS

IR

Vibrations