Geometry & MOs

Info

ID:	328813
PubChem CID:	126728095
Reduced:	NSO3H13C15 (1)
Stoich.:	ABC3D13E15 (1)
Weight, g/mol:	277.186421
ΔH_f, kcal/mol:	-27.89
Dipole, Da:	14.54
IP(EA), eV:	-8.41(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-hexylthiolan-2-yl)-2,6-dimethylpyridine

Drug info:

PubChemData

Smile

CC1(C/C(=C\2/C=CC(=C3C(=O)C(=O)C3=O)S2)/C=CN1)C

DOS

IR

Vibrations