Geometry & MOs

Info

ID:

684

PubChem CID:

3190

Reduced:

N3O9H43C44 (1)

Stoich.:

A3B9C43D44 (1)

Weight, g/mol:

757.29993

ΔHf, kcal/mol:

-134.87

Dipole, Da:

10.82

IP(EA), eV:

 -8.46(-1.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(20,21,25-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-9-yl) 4-nitrobenzoate

Drug info:

PubChemData

Smile

CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)OC(=O)C8=CC=C(C=C8)[N+](=O)[O-])OC

DOS

IR

Vibrations