Geometry & MOs

Info

ID:	240676
PubChem CID:	93617042
Reduced:	SN3O3C9H15 (1)
Stoich.:	AB3C3D9E15 (1)
Weight, g/mol:	333.075882
ΔH_f, kcal/mol:	-83.98
Dipole, Da:	6.77
IP(EA), eV:	-9.6(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole-4-sulfonamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)S(=O)(=O)NC[C@H]2CCCO2

DOS

IR

Vibrations