Geometry & MOs

Info

ID:

406595

PubChem CID:

135078117

Reduced:

SO8C13H20 (1)

Stoich.:

AB8C13D20 (1)

Weight, g/mol:

618.512429

ΔHf, kcal/mol:

-367.81

Dipole, Da:

3.02

IP(EA), eV:

 -8.88(0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6Z)-4-tert-butyl-6-[[[(1R,2R)-2-[[5-tert-butyl-2-hydroxy-3-(3-methylpentan-3-yl)phenyl]methyl-methylamino]cyclohexyl]amino]methylidene]-2-(3-methylpentan-3-yl)cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CC(=O)OCC1C(C(C(C(O1)SC)OC(=O)C)O)OC(=O)C

DOS

IR

Vibrations