Geometry & MOs

Info

ID:	299741
PubChem CID:	117689075
Reduced:	SN2O2C17H24 (1)
Stoich.:	AB2C2D17E24 (1)
Weight, g/mol:	148.038043
ΔH_f, kcal/mol:	-60.77
Dipole, Da:	6.55
IP(EA), eV:	-8.45(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dimethylbutanedithioic acid

Drug info:

PubChemData

Smile

CCN(C1CCC(CC1)C)C2=C(C(=C(S2)C#N)C(=O)OC)C

DOS

IR

Vibrations