Geometry & MOs

Info

ID:

232644

PubChem CID:

87576613

Reduced:

ClO2N5C15H16 (1)

Stoich.:

AB2C5D15E16 (1)

Weight, g/mol:

917.273555

ΔHf, kcal/mol:

-21.02

Dipole, Da:

2.85

IP(EA), eV:

 -9.08(-0.53)

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]-11-(2-nitrophenyl)sulfonyl-2,15-dioxo-3,11,16-triazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 4-fluoro-1,3-dihydroisoindole-2-carboxylate

Drug info:

PubChemData

Smile

C1COC2=C1C(=NC=C2)CN3CC(C4=C3N=C(N=C4Cl)N)CO

DOS

IR

Vibrations