Geometry & MOs

Info

ID:	149595
PubChem CID:	53789269
Reduced:	SO2N3C9H19 (1)
Stoich.:	AB2C3D9E19 (1)
Weight, g/mol:	220.131943
ΔH_f, kcal/mol:	-102.31
Dipole, Da:	2.15
IP(EA), eV:	-8.8(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,8-dimethylnonane-3,3-dithiol

Drug info:

PubChemData

Smile

CCCN[C@@H](CCCNC(=S)N)C(=O)O

DOS

IR

Vibrations