Geometry & MOs

Info

ID:	10279
PubChem CID:	99601
Reduced:	NSC7H10 (2)
Stoich.:	ABC7D10 (2)
Weight, g/mol:	280.106791
ΔH_f, kcal/mol:	34.6
Dipole, Da:	5.86
IP(EA), eV:	-8.54(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCN1CN(C(=S)SC1)CC2=CC=CC=C2

DOS

IR

Vibrations