Geometry & MOs

Info

ID:

314115

PubChem CID:

126620488

Reduced:

N5O8C38H73 (1)

Stoich.:

A5B8C38D73 (1)

Weight, g/mol:

856.468117

ΔHf, kcal/mol:

-474.75

Dipole, Da:

3.96

IP(EA), eV:

 -9.39(0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

20-[[(1S)-1-carboxy-4-[[(1S)-1-carboxy-4-[[(1S)-1-carboxy-4-[[(1S)-1-carboxy-4-oxopentyl]amino]-4-oxobutyl]amino]-4-oxobutyl]amino]-4-oxobutyl]amino]-20-oxoicosanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations