Geometry & MOs

Info

ID:

127654

PubChem CID:

51010447

Reduced:

SO6C19H28 (1)

Stoich.:

AB6C19D28 (1)

Weight, g/mol:

384.16066

ΔHf, kcal/mol:

-215.09

Dipole, Da:

1.79

IP(EA), eV:

 -8.28(0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (1S,2S,3R,4R)-3-[(R)-[(1R,2S,4S)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methylsulfinyl]-1-methoxy-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylate

Drug info:

PubChemData

Smile

CC1([C@H]2CC[C@@]1([C@H](C2)O)C[S@@](=O)[C@H]3[C@@H]4C=C[C@]([C@H]3C(=O)OC)(O4)OC)C

DOS

IR

Vibrations