Geometry & MOs

Info

ID:

52624

PubChem CID:

12015564

Reduced:

ZnCl2N4O8C56H116 (1)

Stoich.:

AB2C4D8E56F116 (1)

Weight, g/mol:

380.06391

ΔHf, kcal/mol:

-160.36

Dipole, Da:

0.84

IP(EA), eV:

 -8.31(-5.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,2S,6R,9R)-1,4-dimethyl-9-(phenylselanylmethyl)-7-oxa-4,8-diazatricyclo[6.3.0.02,6]undecane-3,5-dione

Drug info:

PubChemData

Smile

CCCCCCCCCCCCN1CCN(CCN(CCN(CC1)CCCCCCCCCCCC)CCCCCCCCCCCC)CCCCCCCCCCCC.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Zn+2]

DOS

IR

Vibrations