Geometry & MOs

Info

ID:

314171

PubChem CID:

126620779

Reduced:

NH45C68 (1)

Stoich.:

AB45C68 (1)

Weight, g/mol:

760.483374

ΔHf, kcal/mol:

281.8

Dipole, Da:

2.97

IP(EA), eV:

 -8.11(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

16-[[(1S)-4-[2-[2-[2-[2-[2-[2-(butylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=C(C=C2)C3=CC4=C(C=C3)N(C=C4C5=C(C=C(C=C5)C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=C(C9=CC=CC=C98)C1=CC2=CC=CC=C2C2=CC=CC=C21)C1=CC=CC=C1

DOS

IR

Vibrations