Geometry & MOs

Info

ID:	7068
PubChem CID:	71154
Reduced:	N2S2C11H14 (1)
Stoich.:	A2B2C11D14 (1)
Weight, g/mol:	238.059841
ΔH_f, kcal/mol:	41.44
Dipole, Da:	3.29
IP(EA), eV:	-8.53(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-2-pyridin-2-ylthiolane-2-carboximidothioic acid

Drug info:

PubChemData

Smile

CN=C(C1(CCCS1)C2=CC=CC=N2)S

DOS

IR

Vibrations