Geometry & MOs

Info

ID:	844
PubChem CID:	3427
Reduced:	SN3C17H27 (1)
Stoich.:	AB3C17D27 (1)
Weight, g/mol:	305.192569
ΔH_f, kcal/mol:	36.04
Dipole, Da:	2.79
IP(EA), eV:	-8.92(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3,7,11-trimethyldodeca-2,6,10-trienylsulfanyl)-1H-1,2,4-triazole

Drug info:

PubChemData

Smile

CC(=CCCC(=CCCC(=CCSC1=NC=NN1)C)C)C

DOS

IR

Vibrations