Geometry & MOs

Info

ID:	229388
PubChem CID:	87567532
Reduced:	SF3N3O5C17H22 (1)
Stoich.:	AB3C3D5E17F22 (1)
Weight, g/mol:	323.130363
ΔH_f, kcal/mol:	-339.73
Dipole, Da:	6.14
IP(EA), eV:	-8.81(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[4-[(Z)-(4-acetylsulfanylpiperidin-3-ylidene)methyl]imidazol-1-yl]acetate

Drug info:

PubChemData

Smile

CCOC(=O)CN1C=C(N=C1)/C=C\2/CNCCC2SC(=O)C.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations