Geometry & MOs

Info

ID:	228802
PubChem CID:	87565836
Reduced:	ClNOC13H26 (1)
Stoich.:	ABCD13E26 (1)
Weight, g/mol:	237.08235
ΔH_f, kcal/mol:	-62.08
Dipole, Da:	19.48
IP(EA), eV:	-7.35(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[(3E)-3-(furan-3-ylmethylidene)piperidin-4-yl] ethanethioate

Drug info:

PubChemData

Smile

CC(C)C[N+]1(CCCC(=O)C1)CC(C)C.[Cl-]

DOS

IR

Vibrations