Geometry & MOs

Info

ID:

325113

PubChem CID:

126680918

Reduced:

N2Cl4O7H14C31 (1)

Stoich.:

A2B4C7D14E31 (1)

Weight, g/mol:

345.24565

ΔHf, kcal/mol:

-177.87

Dipole, Da:

5.86

IP(EA), eV:

 -9.43(-2.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

13-tert-butyl-5-propan-2-yl-12-azatetracyclo[8.5.2.24,7.011,15]nonadeca-1(15),4,6,10,13,16,18-heptaene

Drug info:

PubChemData

Smile

C1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=C(C=C(C(=C3)Cl)C4=CC(=C(C=C4Cl)NC(=O)C5=CC6=C(C=C5)C(=O)OC6=O)Cl)Cl

DOS

IR

Vibrations