Geometry & MOs

Info

ID:	11790
PubChem CID:	121032
Reduced:	ON2S2C12H16 (1)
Stoich.:	AB2C2D12E16 (1)
Weight, g/mol:	268.070405
ΔH_f, kcal/mol:	10.32
Dipole, Da:	7.26
IP(EA), eV:	-8.57(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-5-(2-hydroxyethyl)-1,3,5-thiadiazinane-2-thione

Drug info:

PubChemData

Smile

C1N(CSC(=S)N1CC2=CC=CC=C2)CCO

DOS

IR

Vibrations