Geometry & MOs

Info

ID:

59445

PubChem CID:

24871752

Reduced:

OF4N5H21C25 (1)

Stoich.:

AB4C5D21E25 (1)

Weight, g/mol:

1220.812134

ΔHf, kcal/mol:

-111.1

Dipole, Da:

5.13

IP(EA), eV:

-8.68(-0.55)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

N-(4-aminobutyl)-N-[2-[[2-[4-aminobutyl-[2-[[2-[4-aminobutyl-[2-[[2-[4-aminobutyl-[2-[4-aminobutyl-(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-(2-methylpropyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-(2-methylpropyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]-2-[2-(1H-indol-3-yl)ethylamino]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2(C3=NCC(CN3C(=N2)N)(F)F)C4=CC(=C(C=C4)F)C5=C(N=CC=C5)F)OC

DOS

IR

Vibrations