Geometry & MOs

Info

ID:

1465

PubChem CID:

4533

Reduced:

N3O6C40H43 (1)

Stoich.:

A3B6C40D43 (1)

Weight, g/mol:

661.315186

ΔHf, kcal/mol:

-141.13

Dipole, Da:

2.38

IP(EA), eV:

 -8.47(-0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11,33-bis(cyclopropylmethyl)-19,25-dioxa-11,22,33-triazaundecacyclo[24.9.1.18,14.01,24.02,32.04,23.05,21.07,12.08,20.030,36.018,37]heptatriaconta-4(23),5(21),14(37),15,17,26,28,30(36)-octaene-2,7,17,27-tetrol

Drug info:

PubChemData

Smile

C1CC1CN2CCC34C5C6=C(CC3(C2CC7=C4C(=C(C=C7)O)O5)O)C8=C(N6)C9C12CCN(C(C1(C8)O)CC1=C2C(=C(C=C1)O)O9)CC1CC1

DOS

IR

Vibrations