Geometry & MOs

Info

ID:

47626

PubChem CID:

10534542

Reduced:

BrNPO9C33H60 (2)

Stoich.:

ABCD9E33F60 (2)

Weight, g/mol:

1480.396998

ΔHf, kcal/mol:

-1070.5

Dipole, Da:

7.95

IP(EA), eV:

 -9.54(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,7R,11R,15S,19S,22S,26S,30R,34R,39S,43R,47R,51S,55S,56E,58S,62S,66R,70R)-7,11,15,19,22,26,30,34,43,47,51,55,58,62,66,70-hexadecamethyl-2,39-bis(phenylmethoxymethyl)-1,4,37,40-tetraoxacyclodoheptacont-56-ene

Drug info:

PubChemData

Smile

COCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(OCCC#N)OCCBr)OC(=O)CCCCCCCOC)COP(=O)(OCCC#N)OCCBr

DOS

IR

Vibrations