Geometry & MOs

Info

ID:

170553

PubChem CID:

75250849

Reduced:

N7O16C32H47 (1)

Stoich.:

A7B16C32D47 (1)

Weight, g/mol:

916.22867

ΔHf, kcal/mol:

-719.45

Dipole, Da:

6.72

IP(EA), eV:

 -8.79(0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,21-bis(4-bromophenyl)-2,8,15,21,27,34-hexazaheptacyclo[34.2.2.23,6.217,20.222,25.09,14.028,33]hexatetraconta-1(38),3(46),4,6(45),7,15,17(44),18,20(43),22,24,26,34,36,39,41-hexadecaene

Drug info:

PubChemData

Smile

CC(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CO)C(=O)O)NC(=O)C(CO)NC(=O)C(CC(=O)NC2C(C(C(C(O2)CO)O)O)NC(=O)C)NC(=O)C

DOS

IR

Vibrations