Geometry & MOs

Info

ID:	401415
PubChem CID:	135051208
Reduced:	LiNSH4C7 (1)
Stoich.:	ABCD4E7 (1)
Weight, g/mol:	282.082684
ΔH_f, kcal/mol:	75.52
Dipole, Da:	9.56
IP(EA), eV:	-8.03(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(benzylamino)-2-oxo-1-phenylethyl] thiocyanate

Drug info:

PubChemData

Smile

[Li+].C1=CC2=[C-]SN=C2C=C1

DOS

IR

Vibrations