Geometry & MOs

Info

ID:	135788
PubChem CID:	51937019
Reduced:	SF3O3N4C17H22 (1)
Stoich.:	AB3C3D4E17F22 (1)
Weight, g/mol:	393.101082
ΔH_f, kcal/mol:	-196.29
Dipole, Da:	4.21
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.964571
Charge, e:	0

Chem-info

IUPAC name:

[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazol-4-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CS(=O)(=O)NC[C@@H]1CCCC[NH+]1CC2=NC(=NO2)C3=CC(=CC=C3)C(F)(F)F

DOS

IR

Vibrations