Geometry & MOs

Info

ID:

214623

PubChem CID:

85083293

Reduced:

OSN3H10C15 (2)

Stoich.:

ABC3D10E15 (2)

Weight, g/mol:

560.288637

ΔHf, kcal/mol:

157.93

Dipole, Da:

8.12

IP(EA), eV:

 -8.99(-1.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl 2-[[4-(1,3-dioxo-7,8-dihydrobenzo[f]isoindol-2-yl)-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]amino]-4-methylpentanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C=C2C(=O)N3C(=NC(=N3)C4=CC(=CC=C4)C5=NN6C(=O)C(=CC7=CC=C(C=C7)C)SC6=N5)S2

DOS

IR

Vibrations