Geometry & MOs

Info

ID:	230551
PubChem CID:	87571342
Reduced:	O5C19H38 (1)
Stoich.:	A5B19C38 (1)
Weight, g/mol:	401.017712
ΔH_f, kcal/mol:	-301.69
Dipole, Da:	1.92
IP(EA), eV:	-10.66(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;2-[[(2S,3R)-3-(2-chlorophenyl)-2-(2,4-difluorophenyl)oxiran-2-yl]methyl]-1,2,4-triazole-3-thiolate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)C(C(CO)(O)O)O

DOS

IR

Vibrations