Geometry & MOs

Info

ID:	229255
PubChem CID:	87567275
Reduced:	FSN3O3C25H30 (1)
Stoich.:	ABC3D3E25F30 (1)
Weight, g/mol:	383.146762
ΔH_f, kcal/mol:	-88.55
Dipole, Da:	7.44
IP(EA), eV:	-8.68(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)CCN1C=CC(=N1)/C=C/2\CN(CC[C@H]2S)[C@H](C3=CC=CC=C3F)C(=O)C4CC4

DOS

IR

Vibrations