Geometry & MOs

Info

ID:	146904
PubChem CID:	53769630
Reduced:	ClSO2N5C12H12 (1)
Stoich.:	ABC2D5E12F12 (1)
Weight, g/mol:	104.0626
ΔH_f, kcal/mol:	41.09
Dipole, Da:	5.24
IP(EA), eV:	-9.4(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

oct-6-en-1,3-diyne

Drug info:

PubChemData

Smile

CC(=NOC(=O)N(C)SC1=CC=C(C=C1)Cl)N2C=NC=N2

DOS

IR

Vibrations