Geometry & MOs

Info

ID:	172441
PubChem CID:	75510790
Reduced:	O3N5C23H25 (1)
Stoich.:	A3B5C23D25 (1)
Weight, g/mol:	437.120941
ΔH_f, kcal/mol:	-16.65
Dipole, Da:	4.59
IP(EA), eV:	-8.93(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[2-acetyl-3-(3-fluorophenyl)-3,4-dihydropyrazol-5-yl]phenyl]benzenesulfonamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=NN(C(C2)C3=NC4=CC=CC=C4N3)C(=O)CN5CCOCC5

DOS

IR

Vibrations