Geometry & MOs

Info

ID:	5258
PubChem CID:	12846
Reduced:	ClNS2C10H10 (1)
Stoich.:	ABC2D10E10 (1)
Weight, g/mol:	242.994319
ΔH_f, kcal/mol:	53.38
Dipole, Da:	2.69
IP(EA), eV:	-9.06(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chlorophenyl)-1-prop-2-enylsulfanylmethanimidothioic acid

Drug info:

PubChemData

Smile

C=CCSC(=NC1=CC=C(C=C1)Cl)S

DOS

IR

Vibrations