Geometry & MOs

Info

ID:	17683
PubChem CID:	511616
Reduced:	NSC13H22 (2)
Stoich.:	ABC13D22 (2)
Weight, g/mol:	448.294592
ΔH_f, kcal/mol:	-21.44
Dipole, Da:	5.57
IP(EA), eV:	-8.54(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-5-hexadecyl-1,3,5-thiadiazinane-2-thione

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCN1CN(C(=S)SC1)CC2=CC=CC=C2

DOS

IR

Vibrations