Geometry & MOs

Info

ID:

314068

PubChem CID:

126620270

Reduced:

ClN3O4C26H30 (1)

Stoich.:

AB3C4D26E30 (1)

Weight, g/mol:

546.266462

ΔHf, kcal/mol:

-157.46

Dipole, Da:

7.32

IP(EA), eV:

 -9.19(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[1-[4-hydroxy-2-[[1-[2-methyl-4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethylamino]methyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)CNC(=O)C2CC(CN2C(=O)C(C(C)C)N3CC4=CC=CC=C4C3=O)O

DOS

IR

Vibrations