Geometry & MOs

Info

ID:	51884
PubChem CID:	12014644
Reduced:	S2O3N5C14H15 (1)
Stoich.:	A2B3C5D14E15 (1)
Weight, g/mol:	432.148376
ΔH_f, kcal/mol:	-55.28
Dipole, Da:	5.85
IP(EA), eV:	-8.74(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-4-fluoro-1-methyl-5-(1,1,2,2,2-pentafluoroethyl)pyrazole

Drug info:

PubChemData

Smile

CCOC(=O)N1CCC2=C(C1)SC3=C2C(=O)N4C(=N3)SCC(=N4)N

DOS

IR

Vibrations