Geometry & MOs

Info

ID:

169757

PubChem CID:

75144256

Reduced:

O2N3C11H16 (2)

Stoich.:

A2B3C11D16 (2)

Weight, g/mol:

1647.908458

ΔHf, kcal/mol:

-58.33

Dipole, Da:

5.92

IP(EA), eV:

 -8.78(-1.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[[4-[2-[2-[3-acetamido-2-[[3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenoxy(hydroxy)phosphoryl]oxy-hydroxyphosphoryl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoylamino]-4-carboxybutanoyl]amino]-2-amino-7-[[1-(1-carboxyethylamino)-1-oxopropan-2-yl]amino]-7-oxoheptanoic acid

Drug info:

PubChemData

Smile

CC(C)N1CCN(CC1)C(=O)C2C3CN(CCC3NN2)C(=O)CC4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations