Geometry & MOs

Info

ID:	412690
PubChem CID:	135085604
Reduced:	OC7H12 (2)
Stoich.:	AB7C12 (2)
Weight, g/mol:	142.986342
ΔH_f, kcal/mol:	-118.47
Dipole, Da:	2.15
IP(EA), eV:	-9.55(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(isocyanomethylidene)-1,3-dithiolane

Drug info:

PubChemData

Smile

CC(C)/C(=C/C(=O)C(C)C)/CCCC(=O)C

DOS

IR

Vibrations