Geometry & MOs

Info

ID:

215772

PubChem CID:

85085236

Reduced:

O20C35H62 (2)

Stoich.:

A20B35C62 (2)

Weight, g/mol:

1610.71979

ΔHf, kcal/mol:

-1364.19

Dipole, Da:

13.51

IP(EA), eV:

-9.08(-0.3)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

N-[2-[[1-[[1-[[1-[[1-[[1-[[6-amino-1-[[6-amino-1-[[1-[(1,6-diamino-1-oxohexan-2-yl)amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-(4-hydroxy-3,5-diiodophenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]tetradecanamide

Drug info:

PubChemData

Smile

COCC1C2C(C(C(O1)OC3C(OC(C(C3OC)OC)OC4C(OC(C(C4OC)OC)OC5C(OC(C(C5OC)OC)OC6C(OC(C(C6OC)OC)OC7C(OC(C(C7OC)OC)OC8C(OC(C(C8OC)OC)OC9C(OC(O2)C(C9OC)OC)CO)COC)COC)COC)COC)COC)CO)OC)OC

DOS

IR

Vibrations