Geometry & MOs

Info

ID:

215157

PubChem CID:

85084282

Reduced:

BrO5N8C34H51 (1)

Stoich.:

AB5C8D34E51 (1)

Weight, g/mol:

731.440861

ΔHf, kcal/mol:

-125.31

Dipole, Da:

10.77

IP(EA), eV:

 -8.76(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCON=C(C1CCN(CC1)C2(CCN(CC2)C(=O)C3=C(C=C[N+](=C3C)[O-])C)C)C4=CC=C(C=C4)Br.C(CC(C(=O)O)N)CN=C(N)N

DOS

IR

Vibrations