Geometry & MOs

Info

ID:	22216
PubChem CID:	596308
Reduced:	ClNS2H14C15 (1)
Stoich.:	ABC2D14E15 (1)
Weight, g/mol:	307.02562
ΔH_f, kcal/mol:	55.38
Dipole, Da:	1.85
IP(EA), eV:	-8.92(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-chlorophenyl)sulfanylethyl]benzenecarboximidothioic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=NCCSC2=CC=C(C=C2)Cl)S

DOS

IR

Vibrations