Geometry & MOs

Info

ID:	53268
PubChem CID:	14709946
Reduced:	OSN2C8H14 (1)
Stoich.:	ABC2D8E14 (1)
Weight, g/mol:	214.113984
ΔH_f, kcal/mol:	-37.07
Dipole, Da:	6.66
IP(EA), eV:	-9.59(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-(2-cyanoethyl) N,N-dipropylcarbamothioate

Drug info:

PubChemData

Smile

CCN(CC)C(=O)SCCC#N

DOS

IR

Vibrations