Geometry & MOs

Info

ID:

181939

PubChem CID:

76816483

Reduced:

ON2C15H16 (1)

Stoich.:

AB2C15D16 (1)

Weight, g/mol:

810.573132

ΔHf, kcal/mol:

-2.55

Dipole, Da:

1.63

IP(EA), eV:

 -8.21(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[[1-(1H-imidazol-5-yl)-6-[[6-(1H-imidazol-5-ylmethyl)-2-methyl-7-(methylamino)-4,7-dioxoheptan-3-yl]amino]-5-methyl-3,6-dioxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]hexadecanamide

Drug info:

PubChemData

Smile

CCNC(=O)C(=C1C=CC=CN1)C2=CC=CC=C2

DOS

IR

Vibrations