Geometry & MOs

Info

ID:

177379

PubChem CID:

76178596

Reduced:

NO15C39H41 (1)

Stoich.:

AB15C39D41 (1)

Weight, g/mol:

881.477285

ΔHf, kcal/mol:

-577.4

Dipole, Da:

12.47

IP(EA), eV:

 -9.46(-1.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 4-[15-[(5-acetyloxy-3,4-dimethoxy-6-methyloxan-2-yl)oxymethyl]-6-[4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadeca-3,11,13-trien-7-yl]but-2-enoate

Drug info:

PubChemData

Smile

CC=C(C)C(=O)OC1C(OC(CC1O)C2=C(C3=C(C=C2)C(C4CC5C(C(=O)C(=C(C5(C(=O)C4=C3O)O)O)C(=O)N)OC(=O)C6=CC=CC=C6O)(C)OC)O)C

DOS

IR

Vibrations