Geometry & MOs

Info

ID:

181015

PubChem CID:

76715526

Reduced:

N2O5C43H46 (1)

Stoich.:

A2B5C43D46 (1)

Weight, g/mol:

631.305764

ΔHf, kcal/mol:

-116.98

Dipole, Da:

3.73

IP(EA), eV:

 -8.96(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 14-anilino-18-(4-fluoro-1,3-dihydroisoindole-2-carbonyl)oxy-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C(=CC(=N2)C3=CC=CC=C3)OC4CC5C(=O)CC6(CC6C=CCCCCCC(C(=O)N5C4)CCC7=CC=CC=C7)C(=O)O

DOS

IR

Vibrations