Geometry & MOs

Info

ID:

237133

PubChem CID:

92717595

Reduced:

ClO2N5H26C27 (1)

Stoich.:

AB2C5D26E27 (1)

Weight, g/mol:

487.177503

ΔHf, kcal/mol:

28.44

Dipole, Da:

2.25

IP(EA), eV:

 -8.66(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S)-7-[(2-chlorophenyl)methyl]-1-(4,6-dimethylpyrimidin-2-yl)-4-(2-methoxyphenyl)-3-methyl-4,5-dihydropyrazolo[3,4-b]pyridin-6-one

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)N2C3=C([C@@H](CC(=O)N3CC4=CC=CC=C4Cl)C5=CC=CC=C5OC)C(=N2)C)C

DOS

IR

Vibrations