Geometry & MOs

Info

ID:	230844
PubChem CID:	87572127
Reduced:	ClIOC3H4 (1)
Stoich.:	ABCD3E4 (1)
Weight, g/mol:	439.020511
ΔH_f, kcal/mol:	-0.25
Dipole, Da:	2.09
IP(EA), eV:	-10.32(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(2S,3R)-3-(2-chlorophenyl)-2-(2,4-difluorophenyl)oxiran-2-yl]methyl]-1,2,4-triazol-3-yl]sulfanyl hydrogen carbonate

Drug info:

PubChemData

Smile

C1C(O1)C(Cl)I

DOS

IR

Vibrations