Geometry & MOs

Info

ID:	123129
PubChem CID:	50834733
Reduced:	S2O3N6C21H28 (1)
Stoich.:	A2B3C6D21E28 (1)
Weight, g/mol:	392.128469
ΔH_f, kcal/mol:	-29.11
Dipole, Da:	4.8
IP(EA), eV:	-8.45(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(2-fluorophenyl)-3-[(4-methylphenyl)carbamoyl]-1,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCC)C2=NN(C3=C2CN(CC3)S(=O)(=O)C4=CC=C(C=C4)OCC)C

DOS

IR

Vibrations