Geometry & MOs

Info

ID:

315654

PubChem CID:

126628356

Reduced:

FCl2O4N5C25H26 (1)

Stoich.:

AB2C4D5E25F26 (1)

Weight, g/mol:

1093.483708

ΔHf, kcal/mol:

-150.71

Dipole, Da:

5.91

IP(EA), eV:

 -8.27(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[10,19-diethyl-7-[(2-methylpropan-2-yl)oxycarbonyloxy]-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl] 4-[[2-[2,4-bis(phenylmethoxy)-5-propan-2-ylbenzoyl]-1,3-dihydroisoindol-5-yl]methyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCN(CC4)C(=O)CCC(=O)O)N

DOS

IR

Vibrations