Geometry & MOs

Info

ID:

232338

PubChem CID:

87576007

Reduced:

O3C7H10 (1)

Stoich.:

A3B7C10 (1)

Weight, g/mol:

733.279292

ΔHf, kcal/mol:

-109.09

Dipole, Da:

1.15

IP(EA), eV:

-9.72(0.42)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

[(1S,4R,6S,7E,14S,18R)-4-(cyclopropylsulfonylcarbamoyl)-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-12-oxa-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 4-fluoro-1,3-dihydroisoindole-2-carboxylate

Drug info:

PubChemData

Smile

C=CCOC(=O)C/C=C/O

DOS

IR

Vibrations