Geometry & MOs

Info

ID:	230815
PubChem CID:	87572057
Reduced:	ClNOSC8H8 (1)
Stoich.:	ABCDE8F8 (1)
Weight, g/mol:	514.196273
ΔH_f, kcal/mol:	20.53
Dipole, Da:	2.2
IP(EA), eV:	-9.37(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,4S,5R,6R)-6-[4-[(3-fluoro-4-methoxyphenyl)methyl]-5-methyl-1-propan-2-ylpyrazol-3-yl]oxy-3,4,5,6-tetrahydroxyoxan-2-yl]methyl methyl carbonate

Drug info:

PubChemData

Smile

C#CCCOC1=NC=C(S1)CCl

DOS

IR

Vibrations