Geometry & MOs

Info

ID:

426108

PubChem CID:

135138393

Reduced:

FO3N5C29H32 (1)

Stoich.:

AB3C5D29E32 (1)

Weight, g/mol:

484.138068

ΔHf, kcal/mol:

-63.4

Dipole, Da:

9.62

IP(EA), eV:

 -8.01(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-[(2R,3S)-4-hydroxy-3-methoxy-1-(1,3-thiazol-4-yl)butan-2-yl]benzamide

Drug info:

PubChemData

Smile

CN(/C=C(/C1C[C@H]1C2=C(C=CN2C3=CC=CC(=C3)C4=C(C(=CC=C4)C(=O)N5CCCCC5)F)C(=O)O)\N)N

DOS

IR

Vibrations