Geometry & MOs

Info

ID:	44305
PubChem CID:	10502618
Reduced:	NOSSiC25H37 (1)
Stoich.:	ABCDE25F37 (1)
Weight, g/mol:	427.021654
ΔH_f, kcal/mol:	-58.37
Dipole, Da:	5.6
IP(EA), eV:	-8.59(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(4-chloro-1-methyl-5-methylsulfonylpyrazol-3-yl)oxy-2-(trifluoromethyl)phenyl]-2-hydroxyacetamide

Drug info:

PubChemData

Smile

C[C@H]\1[C@@H](CC/C(=C/CC(C(/C=C1\O[Si](C)(C)C)C#N)(C)C)/C)SC2=CC=CC=C2

DOS

IR

Vibrations