Geometry & MOs

Info

ID:

376452

PubChem CID:

134222466

Reduced:

ClFO3N5H25C28 (1)

Stoich.:

ABC3D5E25F28 (1)

Weight, g/mol:

608.236974

ΔHf, kcal/mol:

-71.39

Dipole, Da:

12.69

IP(EA), eV:

 -8.89(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(3-acetyl-5-pyridazin-4-ylindol-1-yl)-1-[(2S,4R)-4-fluoro-2-[[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]amino]methyl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(=O)C1=CN(C2=C1C=C(C=C2)C3=CN=NC=C3)CC(=O)N4CCC[C@H]4C(=O)NCC5=CC(=CC(=C5)Cl)F

DOS

IR

Vibrations