Geometry & MOs

Info

ID:	20709
PubChem CID:	585327
Reduced:	ON2S2C16H18 (1)
Stoich.:	AB2C2D16E18 (1)
Weight, g/mol:	318.086056
ΔH_f, kcal/mol:	25.88
Dipole, Da:	4.04
IP(EA), eV:	-8.53(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-(4-methoxyphenyl)sulfanylethyl]-N-phenylcarbamimidothioic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)SCCN=C(NC2=CC=CC=C2)S

DOS

IR

Vibrations