Geometry & MOs

Info

ID:	53071
PubChem CID:	14709513
Reduced:	SO2N3C9H13 (1)
Stoich.:	AB2C3D9E13 (1)
Weight, g/mol:	286.236876
ΔH_f, kcal/mol:	2.99
Dipole, Da:	4.22
IP(EA), eV:	-9.37(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13,18-dioxa-1,4,7,10-tetrazabicyclo[8.5.5]icosane

Drug info:

PubChemData

Smile

CC1=NN(C(=O)N1CC2CS2)CC3CO3

DOS

IR

Vibrations