Geometry & MOs

Info

ID:

312201

PubChem CID:

126603575

Reduced:

FO2N3H18C20 (1)

Stoich.:

AB2C3D18E20 (1)

Weight, g/mol:

946.474146

ΔHf, kcal/mol:

-29.12

Dipole, Da:

1.83

IP(EA), eV:

-8.39(-0.33)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(16E)-3-methyl-11-(2-pyrrolidin-1-ylethoxy)-7-[(9E)-15-(2-pyrrolidin-1-ylethoxy)-4,7,12-trioxa-19,21,24-triazatetracyclo[18.3.1.12,5.114,18]hexacosa-1(24),2,5(26),9,14,16,18(25),20,22-nonaen-8-yl]-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8(26),9,11,16,21(25),22-decaene

Drug info:

PubChemData

Smile

CC1C(C=CO1)C(=O)NC2=NN(C3=CC=CC=C32)CC4=CC=C(C=C4)F

DOS

IR

Vibrations