Geometry & MOs

Info

ID:

314119

PubChem CID:

126620511

Reduced:

NC12H27 (1)

Stoich.:

AB12C27 (1)

Weight, g/mol:

928.646022

ΔHf, kcal/mol:

-52.65

Dipole, Da:

1.59

IP(EA), eV:

-8.74(3.2)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

18-[[4-[2-[2-[2-[2-[2-[2-[[(2R)-5-[[4-(butylamino)-4-oxobutyl]amino]-5-oxopentan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-4-oxobutyl]amino]-18-oxooctadecanoic acid

Drug info:

PubChemData

Smile

CCCCC[C@H](C(C)(C)CC)NC

DOS

IR

Vibrations