Geometry & MOs

Info

ID:

328708

PubChem CID:

126726674

Reduced:

OC27H34 (1)

Stoich.:

AB27C34 (1)

Weight, g/mol:

638.258121

ΔHf, kcal/mol:

-14.4

Dipole, Da:

0.97

IP(EA), eV:

 -8.5(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3'R,4S,6'R,7'S,8'E,11'S)-7-chloro-12'-cyclobutyl-7'-hydroxy-11'-methyl-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13lambda6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one

Drug info:

PubChemData

Smile

CCCCCC1(C2=C(C=CC(=C2)C)C3=C1C=C(C=C3)C)OCCC/C=C/C=C

DOS

IR

Vibrations