Geometry & MOs

Info

ID:	51027
PubChem CID:	12013641
Reduced:	OSC20H30 (1)
Stoich.:	ABC20D30 (1)
Weight, g/mol:	347.137757
ΔH_f, kcal/mol:	-61.44
Dipole, Da:	2.96
IP(EA), eV:	-8.45(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-heptyl-3,4-dihydro-2H-pyran-6-yl)sulfanyl]-1,3-benzothiazole

Drug info:

PubChemData

Smile

CCCCCCCC1CCC=C(O1)SC2=CC(=CC(=C2)C)C

DOS

IR

Vibrations