Geometry & MOs

Info

ID:	20531
PubChem CID:	584487
Reduced:	ClN2S2C15H15 (1)
Stoich.:	AB2C2D15E15 (1)
Weight, g/mol:	322.036518
ΔH_f, kcal/mol:	56.67
Dipole, Da:	1.14
IP(EA), eV:	-8.84(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations