Geometry & MOs

Info

ID:	181413
PubChem CID:	76745218
Reduced:	ClSF2O2N4C23H25 (1)
Stoich.:	ABC2D2E4F23G25 (1)
Weight, g/mol:	458.154325
ΔH_f, kcal/mol:	-119.74
Dipole, Da:	4.65
IP(EA), eV:	-9.09(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]propylidene]piperidine-1-sulfonamide

Drug info:

PubChemData

Smile

CCC(=NS(=O)(=O)N1CCC(CC1)(F)F)N2CC(C(=N2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4

DOS

IR

Vibrations