Geometry & MOs

Info

ID:

45117

PubChem CID:

10508154

Reduced:

O4C18H31 (2)

Stoich.:

A4B18C31 (2)

Weight, g/mol:

623.325328

ΔHf, kcal/mol:

-444.73

Dipole, Da:

6.08

IP(EA), eV:

 -9.38(1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,6S,8aS)-6-[(2R)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]-2,2,8a-trimethyl-3-phenyl-6-prop-2-enyl-7,8-dihydro-3H-[1,3]oxazolo[3,2-a]pyridine-5-thione

Drug info:

PubChemData

Smile

CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1C[C@H]([C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C)O)C)O)C

DOS

IR

Vibrations