Geometry & MOs

Info

ID:

192308

PubChem CID:

78255046

Reduced:

ClO7H25C26 (1)

Stoich.:

AB7C25D26 (1)

Weight, g/mol:

504.128983

ΔHf, kcal/mol:

-229.74

Dipole, Da:

3.7

IP(EA), eV:

 -9.3(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(1,3-benzodioxol-5-ylmethylsulfanyl)-13-methyl-7-phenyl-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,10(15)-trien-8-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)OC2=COC3CC(CCC3C2=O)OCC(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations