Geometry & MOs

Info

ID:	229690
PubChem CID:	87568471
Reduced:	S2O4N6C7H14 (1)
Stoich.:	A2B4C6D7E14 (1)
Weight, g/mol:	251.109233
ΔH_f, kcal/mol:	-135.27
Dipole, Da:	4.84
IP(EA), eV:	-9.6(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[(3E)-3-[(2-methylpyrazol-3-yl)methylidene]piperidin-4-yl] ethanethioate

Drug info:

PubChemData

Smile

CC(CN(C(=O)O)SC(=N)N)N(C(=O)O)SC(=N)N

DOS

IR

Vibrations