Geometry & MOs

Info

ID:	419353
PubChem CID:	135108021
Reduced:	SO2F3N4C21H23 (1)
Stoich.:	AB2C3D4E21F23 (1)
Weight, g/mol:	384.107911
ΔH_f, kcal/mol:	-185.31
Dipole, Da:	5.85
IP(EA), eV:	-9.23(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H]2[C@@](C[C@@H]1N2CC3=CC(=CC=C3)C(F)(F)F)(CC4=CSC=N4)C(=O)NCC(=O)N

DOS

IR

Vibrations