Geometry & MOs

Info

ID:

181361

PubChem CID:

76734655

Reduced:

NSO5C36H41 (1)

Stoich.:

ABC5D36E41 (1)

Weight, g/mol:

590.245058

ΔHf, kcal/mol:

-106.35

Dipole, Da:

6.32

IP(EA), eV:

 -8.67(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-cyclopentyl-11-hydroxy-9,13-dimethyl-8-[2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetyl]-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one

Drug info:

PubChemData

Smile

CC12CC(C3C(C1CC4C2(OC(O4)C5CCCC5)C(=O)CSC6=NC7=CC=CC=C7C=C6)CCC8=CC(=O)C=CC38C)O

DOS

IR

Vibrations