Geometry & MOs

Info

ID:

181030

PubChem CID:

76715542

Reduced:

SN3O5C41H45 (1)

Stoich.:

AB3C5D41E45 (1)

Weight, g/mol:

686.347963

ΔHf, kcal/mol:

-70.45

Dipole, Da:

2.93

IP(EA), eV:

 -8.94(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[[3-(benzylamino)-3-oxopropyl]carbamoyl]-14-methyl-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 4-fluoro-1,3-dihydroisoindole-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CC2CCCCCC=CC3CC3(CC(=O)C4CC(CN4C2=O)OC5=NC6=C(S5)C=C(C=C6)C)C(=O)NOC7=CC=CC=C7

DOS

IR

Vibrations