Geometry & MOs

Info

ID:

181166

PubChem CID:

76715678

Reduced:

FN2O6C29H35 (1)

Stoich.:

AB2C6D29E35 (1)

Weight, g/mol:

630.252349

ΔHf, kcal/mol:

-263.17

Dipole, Da:

9.06

IP(EA), eV:

 -9.63(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[14-amino-4-(cyclopropylsulfonylcarbamoyl)-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

CC1CCCCCC=CC2CC2(CC(=O)C3CC(CN3C1=O)OC(=O)N4CC5=C(C4)C(=CC=C5)F)C(=O)O

DOS

IR

Vibrations