Geometry & MOs

Info

ID:	228743
PubChem CID:	87565655
Reduced:	N3O6C26H47 (1)
Stoich.:	A3B6C26D47 (1)
Weight, g/mol:	352.070463
ΔH_f, kcal/mol:	-326.5
Dipole, Da:	1.83
IP(EA), eV:	-9.26(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC[C@@H](C(=O)ON(C1CCCCC1)C2CCCCC2)NC(=O)OC(C)(C)C

DOS

IR

Vibrations