Geometry & MOs

Info

ID:

327007

PubChem CID:

126688844

Reduced:

NSO6C20H41 (1)

Stoich.:

ABC6D20E41 (1)

Weight, g/mol:

1024.577274

ΔHf, kcal/mol:

-307.73

Dipole, Da:

13.8

IP(EA), eV:

 -10.18(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3,5,5-trimethyl-2-oxo-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[2,6,6-trimethyl-4-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]carbamoylamino]acetyl]oxy-3-oxocyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl] 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]carbamoylamino]acetate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCOC(=O)C(C)[N+](C)(C)CC(CS(=O)(=O)[O-])O

DOS

IR

Vibrations