Geometry & MOs

Info

ID:	229094
PubChem CID:	87566939
Reduced:	ClNPO2C12H15 (1)
Stoich.:	ABCD2E12F15 (1)
Weight, g/mol:	352.070463
ΔH_f, kcal/mol:	-99.23
Dipole, Da:	4.14
IP(EA), eV:	-9.44(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[(3E)-3-(1,2-oxazol-5-ylmethylidene)piperidin-4-yl] ethanethioate;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

C=CCN(CC=C)P(=O)(OC1=CC=CC=C1)Cl

DOS

IR

Vibrations