Geometry & MOs

Info

ID:	228760
PubChem CID:	87565690
Reduced:	ON7H23C24 (1)
Stoich.:	AB7C23D24 (1)
Weight, g/mol:	372.130777
ΔH_f, kcal/mol:	119.74
Dipole, Da:	3.76
IP(EA), eV:	-8.82(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopropyl-2-(2-fluorophenyl)-2-[(3Z)-3-(1,3-oxazol-5-ylmethylidene)-4-sulfanylpiperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=CC=C2C3=CN=CN(C3)C#N)C(=O)CN4C=CC5=C4N=CC=C5

DOS

IR

Vibrations