Geometry & MOs

Info

ID:

169758

PubChem CID:

75144465

Reduced:

P2N7O23C82H135 (1)

Stoich.:

A2B7C23D82E135 (1)

Weight, g/mol:

1801.000012

ΔHf, kcal/mol:

-1241.55

Dipole, Da:

15.94

IP(EA), eV:

 -8.96(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 -3

Chem-info

IUPAC name:

2-[2-[2-[5-acetamido-3-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(hydroxymethyl)-6-[oxido-[oxido(3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenoxy)phosphoryl]oxyphosphoryl]oxyoxan-4-yl]oxypropanoylamino]propanoylamino]-5-[[6-azaniumyl-1-(1-carboxylatoethylamino)-1-oxohexan-2-yl]amino]-5-oxopentanoate

Drug info:

PubChemData

Smile

CC(C(=O)NC(CCC(=O)NC(CCCC(C(=O)O)N)C(=O)NC(C)C(=O)NC(C)C(=O)O)C(=O)O)NC(=O)C(C)OC1C(C(OC(C1O)CO)OP(=O)(O)OP(=O)(O)OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)NC(=O)C

DOS

IR

Vibrations