Geometry & MOs

Info

ID:	228009
PubChem CID:	87563219
Reduced:	NS2C11H11 (1)
Stoich.:	AB2C11D11 (1)
Weight, g/mol:	221.033292
ΔH_f, kcal/mol:	71.38
Dipole, Da:	4.03
IP(EA), eV:	-9.19(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyanopropyl benzenecarbodithioate

Drug info:

PubChemData

Smile

CCC(C#N)SC(=S)C1=CC=CC=C1

DOS

IR

Vibrations