Geometry & MOs

Info

ID:

230419

PubChem CID:

87570862

Reduced:

ClFON4H16C24 (1)

Stoich.:

ABCD4E16F24 (1)

Weight, g/mol:

510.201359

ΔHf, kcal/mol:

70.17

Dipole, Da:

4.16

IP(EA), eV:

 -8.96(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3S,4S,5R,6R)-6-[1-cyclobutyl-4-[(3-fluoro-4-methylphenyl)methyl]-5-methylpyrazol-3-yl]oxy-3,4,5,6-tetrahydroxyoxan-2-yl]methyl methyl carbonate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NN4C=C(C=CC4=C3C5=NC(=NC=C5)Cl)F

DOS

IR

Vibrations