Geometry & MOs

Info

ID:

175934

PubChem CID:

75969623

Reduced:

O5H18C25 (1)

Stoich.:

A5B18C25 (1)

Weight, g/mol:

820.307321

ΔHf, kcal/mol:

-112.42

Dipole, Da:

6.16

IP(EA), eV:

 -8.94(-1.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-(cyclopropylsulfonylcarbamoyl)-14-[(1-hydroxy-3H-2,1-benzoxaborol-6-yl)methylcarbamoylamino]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 4-fluoro-1,3-dihydroisoindole-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)C=CC2=CC(=C(C3=C2C4=C(C=C3)C(=CC(=O)O4)C)O)C=O

DOS

IR

Vibrations