Geometry & MOs

Info

ID:	11750
PubChem CID:	120403
Reduced:	ClSN2C8H8 (2)
Stoich.:	ABC2D8E8 (2)
Weight, g/mol:	398.019344
ΔH_f, kcal/mol:	61.22
Dipole, Da:	5.57
IP(EA), eV:	-9.03(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[N'-(3-chlorophenyl)carbamimidoyl]sulfanylethyl N'-(3-chlorophenyl)carbamimidothioate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)N=C(N)SCCSC(=NC2=CC(=CC=C2)Cl)N

DOS

IR

Vibrations