Geometry & MOs

Info

ID:

192265

PubChem CID:

78250445

Reduced:

ClN3O4H26C27 (1)

Stoich.:

AB3C4D26E27 (1)

Weight, g/mol:

458.214033

ΔHf, kcal/mol:

-100.96

Dipole, Da:

4.74

IP(EA), eV:

 -9.47(-1.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

12-benzyl-16-ethylsulfanylspiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,15-pentaene-9,1'-cyclohexane]-11-one

Drug info:

PubChemData

Smile

CCCCC(=O)N1C2C(C(C3=C1C4=CC=CC=C4C3=O)C5=CC=C(C=C5)Cl)C(=O)N(C(=O)N2C)C

DOS

IR

Vibrations