Geometry & MOs

Info

ID:	228571
PubChem CID:	87565320
Reduced:	SF3N4O5C15H19 (1)
Stoich.:	AB3C4D5E15F19 (1)
Weight, g/mol:	310.109962
ΔH_f, kcal/mol:	-304.71
Dipole, Da:	4.81
IP(EA), eV:	-9.15(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[4-[(E)-(4-acetylsulfanylpiperidin-3-ylidene)methyl]triazol-1-yl]acetate

Drug info:

PubChemData

Smile

CC(=O)SC\1CCNC/C1=C\C2=CN(N=N2)CC(=O)OC.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations