Geometry & MOs

Info

ID:	123124
PubChem CID:	50834643
Reduced:	SO3N5H21C23 (1)
Stoich.:	AB3C5D21E23 (1)
Weight, g/mol:	392.128469
ΔH_f, kcal/mol:	-18.97
Dipole, Da:	0.89
IP(EA), eV:	-7.86(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C(=O)C2=C(C3=C(N2C)C=CC(=C3)OC)N=C1SCC4=CC(=O)N5C=CC=CC5=N4

DOS

IR

Vibrations