Geometry & MOs

Info

ID:

297912

PubChem CID:

117636452

Reduced:

NO7C24H35 (1)

Stoich.:

AB7C24D35 (1)

Weight, g/mol:

989.528092

ΔHf, kcal/mol:

-328.64

Dipole, Da:

7.64

IP(EA), eV:

 -9.57(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-[[(1S)-1-carboxy-4-[[(2S)-3-hydroxy-1-[[(2S)-3-hydroxy-1-[[2-[[(2S)-3-hydroxy-1-[[(2S)-3-hydroxy-1-[[2-[[(5S)-5-(methylamino)-6-oxoheptyl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutyl]amino]-14-oxotetradecanoic acid

Drug info:

PubChemData

Smile

CC(=O)CC[C@@H](C(=O)O)NC(=O)CCCCCCCCCCOC1=CC=C(C=C1)C(=O)O

DOS

IR

Vibrations