Geometry & MOs

Info

ID:

219319

PubChem CID:

85098735

Reduced:

NO9C46H77 (1)

Stoich.:

AB9C46D77 (1)

Weight, g/mol:

788.457845

ΔHf, kcal/mol:

-442.65

Dipole, Da:

3.76

IP(EA), eV:

 -9.42(0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[[6-amino-2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoic acid

Drug info:

PubChemData

Smile

CCC=CCC=CCC=CCCCCCCCC(=O)OCC(COC(C1C(C(C(C(O1)C)O)O)O)N)OC(=O)CCCCCCCC=CCC=CCC=CCC

DOS

IR

Vibrations