Geometry & MOs

Info

ID:

232025

PubChem CID:

87575177

Reduced:

ClOH11C14 (1)

Stoich.:

ABC11D14 (1)

Weight, g/mol:

690.230568

ΔHf, kcal/mol:

6.92

Dipole, Da:

2.82

IP(EA), eV:

 -9.37(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(1S,4R,6S,7E,14S,18R)-14-(carbamothioylamino)-4-(cyclopropylsulfonylcarbamoyl)-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl]-4-fluoro-1,3-dihydroisoindole-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C(C=O)Cl

DOS

IR

Vibrations