Geometry & MOs

Info

ID:

163406

PubChem CID:

57936660

Reduced:

N2O14C41H50 (1)

Stoich.:

A2B14C41D50 (1)

Weight, g/mol:

588.231397

ΔHf, kcal/mol:

-522.9

Dipole, Da:

7.61

IP(EA), eV:

 -8.6(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

24,29-diphenyl-8,15,31,34-tetrazaheptacyclo[20.8.4.02,7.09,14.016,21.025,33.028,32]tetratriaconta-1(30),2,4,6,8,10,12,14,16,18,20,22,24,26,28,32-hexadecaene

Drug info:

PubChemData

Smile

CC(=C)C(=O)OCC(COC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OCC(COC(=O)C(=C)C)OC(=O)NCOC(=O)C(=C)C)OC(=O)NCOC(=O)C(=C)C

DOS

IR

Vibrations