Geometry & MOs

Info

ID:	15138
PubChem CID:	430572
Reduced:	NOSC5H7 (2)
Stoich.:	ABCD5E7 (2)
Weight, g/mol:	258.04967
ΔH_f, kcal/mol:	-87.79
Dipole, Da:	2.61
IP(EA), eV:	-9.23(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,9-bis(sulfanyl)-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione

Drug info:

PubChemData

Smile

C1CC2(C(=O)N3CCCC3(C(=O)N2C1)S)S

DOS

IR

Vibrations