Geometry & MOs

Info

ID:

52688

PubChem CID:

12015690

Reduced:

SN2O4H8C9 (1)

Stoich.:

AB2C4D8E9 (1)

Weight, g/mol:

895.049376

ΔHf, kcal/mol:

-31.02

Dipole, Da:

5.0

IP(EA), eV:

 -10.4(-2.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

barium(2+);2,2-dimethyl-18-phenyl-15,21,33,34-tetraoxa-8,18,28-triazapentacyclo[28.2.1.13,6.09,14.022,27]tetratriaconta-1(32),3,5,7,9,11,13,22,24,26,28,30-dodecaene;diperchlorate

Drug info:

PubChemData

Smile

CCS1(=NC(=O)C2=C1C=C(C=C2)[N+](=O)[O-])=O

DOS

IR

Vibrations