Geometry & MOs

Info

ID:

181113

PubChem CID:

76715625

Reduced:

SN3O7C31H39 (1)

Stoich.:

AB3C7D31E39 (1)

Weight, g/mol:

687.368365

ΔHf, kcal/mol:

-202.58

Dipole, Da:

3.45

IP(EA), eV:

 -9.31(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 14-(3-tert-butylanilino)-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

CC1CCCCCC=CC2CC2(CC(=O)C3CC(CN3C1=O)OC4=NC5=CC=CC=C5O4)C(=O)NS(=O)(=O)C6(CC6)C

DOS

IR

Vibrations