Geometry & MOs

Info

ID:	17146
PubChem CID:	485894
Reduced:	SO3F4N5H19C22 (1)
Stoich.:	AB3C4D5E19F22 (1)
Weight, g/mol:	509.114473
ΔH_f, kcal/mol:	-180.82
Dipole, Da:	2.72
IP(EA), eV:	-10.01(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(benzenesulfonyl)-3,5-dimethylpyrazol-4-yl]-2-(2,4-difluorophenyl)-1,1-difluoro-3-(1,2,4-triazol-1-yl)propan-2-ol

Drug info:

PubChemData

Smile

CC1=C(C(=NN1S(=O)(=O)C2=CC=CC=C2)C)C(C(CN3C=NC=N3)(C4=C(C=C(C=C4)F)F)O)(F)F

DOS

IR

Vibrations