Geometry & MOs

Info

ID:

11697

PubChem CID:

119306

Reduced:

O2C19H23 (2)

Stoich.:

A2B19C23 (2)

Weight, g/mol:

566.33961

ΔHf, kcal/mol:

-114.0

Dipole, Da:

2.74

IP(EA), eV:

 -8.53(0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2R,5S,8R,9R,11S,14R,15R,24S,26S,27S)-14,15,32,32-tetramethyl-23-methylidene-9-prop-1-en-2-yl-10,31-dioxanonacyclo[24.4.2.02,15.05,14.06,11.016,30.018,29.021,28.024,27]dotriaconta-6,16(30),18(29),19,21(28)-pentaene-5,8-diol

Drug info:

PubChemData

Smile

CC(=C)[C@@H]1[C@@H](C=C2[C@@H](O1)CC[C@]3([C@]2(CC[C@@H]4[C@@]3(C5=C6[C@H]4OC([C@H]7C[C@H]8[C@@H]7C9=C(CC8=C)C=CC(=C96)C5)(C)C)C)O)C)O

DOS

IR

Vibrations