Geometry & MOs

Info

ID:

223871

PubChem CID:

85335683

Reduced:

ClOF3N5C34H37 (1)

Stoich.:

ABC3D5E34F37 (1)

Weight, g/mol:

623.366947

ΔHf, kcal/mol:

-59.75

Dipole, Da:

6.1

IP(EA), eV:

 -8.9(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[6-[4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-15-(ethenoxymethyl)-16-ethyl-4-hydroxy-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde

Drug info:

PubChemData

Smile

CC(CCN(CC1=C(C(=CC=C1)C(F)(F)F)Cl)CC(C2=CC=CC=C2)C3=CC=CC=C3)OC4=CC=CC(=C4)CC5NNNN5

DOS

IR

Vibrations