Geometry & MOs

Info

ID:	228732
PubChem CID:	87565635
Reduced:	FSN3O4C24H26 (1)
Stoich.:	ABC3D4E24F26 (1)
Weight, g/mol:	388.107934
ΔH_f, kcal/mol:	-117.1
Dipole, Da:	5.15
IP(EA), eV:	-9.11(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopropyl-2-(2-fluorophenyl)-2-[(3Z)-4-sulfanyl-3-(1,3-thiazol-4-ylmethylidene)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(=O)SC\1CCN(C/C1=C\C2=CN(N=C2)CC(=O)O)C(C3=CC=CC=C3F)C(=O)C4CC4

DOS

IR

Vibrations