Geometry & MOs

Info

ID:

219597

PubChem CID:

85149418

Reduced:

PN2O12C26H39 (1)

Stoich.:

AB2C12D26E39 (1)

Weight, g/mol:

600.301949

ΔHf, kcal/mol:

-575.32

Dipole, Da:

5.38

IP(EA), eV:

 -9.36(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 13-benzyl-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-15-(3-methoxy-3-oxoprop-1-enyl)-10,13-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2,4,6,8,14-pentaene-11-carboxylate

Drug info:

PubChemData

Smile

C1CC(OC1COP(=O)(O)OC2=CC=CC=C2CC3COCCOCCOCCOCCO3)N4CCC(=O)NC4=O

DOS

IR

Vibrations