Geometry & MOs

Info

ID:

314120

PubChem CID:

126620512

Reduced:

N6O12C47H88 (1)

Stoich.:

A6B12C47D88 (1)

Weight, g/mol:

860.499418

ΔHf, kcal/mol:

-666.78

Dipole, Da:

10.02

IP(EA), eV:

 -9.56(0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-[[(1S)-1-carboxy-4-[2-[2-[2-[2-[2-[2-[[(3S)-1-carboxy-4-oxopentan-3-yl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-4-oxobutyl]amino]-18-oxooctadecanoic acid

Drug info:

PubChemData

Smile

CCCCNC(=O)CCCNC(=O)CC[C@@H](C)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CCCNC(=O)CCCCCCCCCCCCCCCCC(=O)O

DOS

IR

Vibrations