Geometry & MOs

Info

ID:	145651
PubChem CID:	53564795
Reduced:	ClON6C15H21 (1)
Stoich.:	ABC6D15E21 (1)
Weight, g/mol:	340.091535
ΔH_f, kcal/mol:	17.54
Dipole, Da:	10.09
IP(EA), eV:	-9.62(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothiolan-3-yl)-6-ethylsulfanyl-N-prop-2-enylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=N1)C)C(=O)N2CCN3C(=NN=C3C2)C)Cl

DOS

IR

Vibrations