Geometry & MOs

Info

ID:	140090
PubChem CID:	52644736
Reduced:	ClSO3N4H18C20 (1)
Stoich.:	ABC3D4E18F20 (1)
Weight, g/mol:	381.128883
ΔH_f, kcal/mol:	0.15
Dipole, Da:	6.63
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.773493
Charge, e:	0

Chem-info

IUPAC name:

N-(2-acetylphenyl)-1-(3,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1=CN=C(N=C1)[N-]S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCCC3=CC=C(C=C3)Cl

DOS

IR

Vibrations