Geometry & MOs

Info

ID:	5282
PubChem CID:	12895
Reduced:	ClNS2H12C14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	293.009969
ΔH_f, kcal/mol:	62.95
Dipole, Da:	2.99
IP(EA), eV:	-9.02(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzylsulfanyl-N-(4-chlorophenyl)methanimidothioic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CSC(=NC2=CC=C(C=C2)Cl)S

DOS

IR

Vibrations