Geometry & MOs

Info

ID:	231110
PubChem CID:	87572659
Reduced:	BPF4C25H54 (1)
Stoich.:	ABC4D25E54 (1)
Weight, g/mol:	542.227573
ΔH_f, kcal/mol:	-461.97
Dipole, Da:	22.72
IP(EA), eV:	-10.94(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

[B-](F)(F)(F)F.CCCCCCCCC(CCCCCCCC)(CCCCCCCC)[PH3+]

DOS

IR

Vibrations