Geometry & MOs

Info

ID:	403994
PubChem CID:	135064099
Reduced:	N2O2F8H12C15 (1)
Stoich.:	A2B2C8D12E15 (1)
Weight, g/mol:	378.14334
ΔH_f, kcal/mol:	-432.07
Dipole, Da:	9.69
IP(EA), eV:	-9.54(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-phenylsulfanyl-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=O)NN1C2=CC=CC=C2)C(C(C(C(C(F)F)(F)F)(F)F)(F)F)O

DOS

IR

Vibrations