Geometry & MOs

Info

ID:

167986

PubChem CID:

74909423

Reduced:

SN2O8C24H28 (1)

Stoich.:

AB2C8D24E28 (1)

Weight, g/mol:

489.248838

ΔHf, kcal/mol:

-268.24

Dipole, Da:

5.97

IP(EA), eV:

 -8.84(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-methyl-2-[1-(4-methylphenyl)-4-oxo-3,3a,5,6,7,7a-hexahydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]pyrazol-3-yl]-4-propan-2-yloxybenzamide

Drug info:

PubChemData

Smile

CCOC(=O)N1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C=CC3=CC(=C(C(=C3)OC)OC)OC

DOS

IR

Vibrations