Geometry & MOs

Info

ID:	56369
PubChem CID:	17425201
Reduced:	SN3O5H19C24 (1)
Stoich.:	AB3C5D19E24 (1)
Weight, g/mol:	372.158626
ΔH_f, kcal/mol:	-78.89
Dipole, Da:	2.43
IP(EA), eV:	-8.84(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-quinolin-8-ylbutanamide

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)CNS(=O)(=O)C3=CC=CC(=C3)C(=O)NC4=CC=CC5=C4N=CC=C5

DOS

IR

Vibrations