Geometry & MOs

Info

ID:	442366
PubChem CID:	135251590
Reduced:	ON2S2C12H20 (1)
Stoich.:	AB2C2D12E20 (1)
Weight, g/mol:	333.266779
ΔH_f, kcal/mol:	-52.43
Dipole, Da:	1.31
IP(EA), eV:	-8.89(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

octyl 2,2-dimethyl-4-pyridin-2-ylhexanoate

Drug info:

PubChemData

Smile

CC(=S)CCCC[C@H]1[C@@H]2[C@](CS1)(NC(=O)N2)C

DOS

IR

Vibrations