Geometry & MOs

Info

ID:

215284

PubChem CID:

85084478

Reduced:

BN2O2C55H61 (1)

Stoich.:

AB2C2D55E61 (1)

Weight, g/mol:

793.309826

ΔHf, kcal/mol:

132.23

Dipole, Da:

20.02

IP(EA), eV:

 -5.81(-1.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-acetyloxy-15-(3-benzamido-2-hydroxy-3-phenylpropanoyl)oxy-1,9-dihydroxy-10,17,17-trimethyl-14-methylidene-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-12-en-2-yl] benzoate

Drug info:

PubChemData

Smile

[B-](C1=CC=C(C=C1)C)(C2=CC=C(C=C2)C)(C3=CC=C(C=C3)C)C4=CC=C(C=C4)C.CC1(C2=C(C=CC(=C2)OC)[N+](=C1C=CC=C3C(C4=C(N3C)C=CC(=C4)OC)(C)C)C)C

DOS

IR

Vibrations