Geometry & MOs

Info

ID:

230556

PubChem CID:

87571353

Reduced:

O2N3F8H13C23 (1)

Stoich.:

A2B3C8D13E23 (1)

Weight, g/mol:

524.217009

ΔHf, kcal/mol:

-353.36

Dipole, Da:

6.54

IP(EA), eV:

 -8.7(-1.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC2=C(C=C1)N(C(=N2)C(F)(F)F)C3=CC=C(C=C3)NC(=O)C4=C(C(=C(C(=C4F)F)F)F)F

DOS

IR

Vibrations