Geometry & MOs

Info

ID:

181363

PubChem CID:

76734727

Reduced:

SN2O5C28H32 (1)

Stoich.:

AB2C5D28E32 (1)

Weight, g/mol:

579.265459

ΔHf, kcal/mol:

-161.99

Dipole, Da:

10.33

IP(EA), eV:

 -8.84(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[2-(11-hydroxy-9,13-dimethyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl)-2-oxoethyl]sulfanylphenyl]acetamide

Drug info:

PubChemData

Smile

CC12CC(C3C(C1CCC2(C(=O)CSC4=NC5=C(N4)C=C(C=C5)O)O)CCC6=CC(=O)C=CC36C)O

DOS

IR

Vibrations