Geometry & MOs

Info

ID:

168848

PubChem CID:

75027046

Reduced:

BrClN2O2F3H13C19 (1)

Stoich.:

ABC2D2E3F13G19 (1)

Weight, g/mol:

938.347334

ΔHf, kcal/mol:

-179.04

Dipole, Da:

7.36

IP(EA), eV:

 -9.69(-1.21)

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-10,14,17,17-tetramethyl-11-oxo-12-[(2-oxooxolan-3-yl)carbamoyloxy]-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate

Drug info:

PubChemData

Smile

C1C(C(C(=O)NC1C2=C(C=CC(=C2)Br)O)C#N)C3=C(C=CC(=C3)C(F)(F)F)Cl

DOS

IR

Vibrations