Geometry & MOs

Info

ID:

44667

PubChem CID:

10505187

Reduced:

NO5C30H35 (1)

Stoich.:

AB5C30D35 (1)

Weight, g/mol:

489.254895

ΔHf, kcal/mol:

-196.66

Dipole, Da:

4.68

IP(EA), eV:

 -8.43(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,8S,10Z,16S,17S)-4,16-dihydroxy-15,15,17-trimethyl-8-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-7-oxaspiro[2.15]octadec-10-ene-6,18-dione

Drug info:

PubChemData

Smile

CC1=C(C(=C(C2=C1OC(CC2)(C)CNC(=O)[C@@H](C)C3=CC4=C(C=C3)C=C(C=C4)OC)C)OC(=O)C)C

DOS

IR

Vibrations