Geometry & MOs

Info

ID:	46825
PubChem CID:	10527641
Reduced:	SiO4C27H36 (1)
Stoich.:	AB4C27D36 (1)
Weight, g/mol:	453.115855
ΔH_f, kcal/mol:	-185.06
Dipole, Da:	3.99
IP(EA), eV:	-9.08(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid

Drug info:

PubChemData

Smile

C/C(=C\O)/C(=O)[C@@H]1CC[C@H]([C@@H](C1)OC)O[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C

DOS

IR

Vibrations