Geometry & MOs

Info

ID:	229402
PubChem CID:	87567552
Reduced:	SF3N4O5C18H25 (1)
Stoich.:	AB3C4D5E18F25 (1)
Weight, g/mol:	408.107455
ΔH_f, kcal/mol:	-333.31
Dipole, Da:	3.04
IP(EA), eV:	-9.32(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)CCCN1C(=CN=N1)/C=C\2/CNCCC2SC(=O)C.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations