Geometry & MOs

Info

ID:

317207

PubChem CID:

126633224

Reduced:

O5C24H32 (1)

Stoich.:

A5B24C32 (1)

Weight, g/mol:

597.263899

ΔHf, kcal/mol:

-206.12

Dipole, Da:

3.17

IP(EA), eV:

 -9.25(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2S)-2-[2-[3-(4-fluoro-2-methoxyphenyl)phenyl]-7-(3-methoxy-4-methylphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate

Drug info:

PubChemData

Smile

CCCCCC(C1=CC=C(C=C1)C2=C(C(=O)CC2C/C=C\CCCC(=O)O)O)O

DOS

IR

Vibrations