Geometry & MOs

Info

ID:	401422
PubChem CID:	135051225
Reduced:	ClOSH5C7 (1)
Stoich.:	ABCD5E7 (1)
Weight, g/mol:	243.02325
ΔH_f, kcal/mol:	-8.31
Dipole, Da:	2.91
IP(EA), eV:	-9.26(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

potassium;N-cyano-N'-[(1S)-1-phenylethyl]carbamimidothioate

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)S)C=O

DOS

IR

Vibrations