Geometry & MOs

Info

ID:	383532
PubChem CID:	134975310
Reduced:	O6C27H46 (1)
Stoich.:	A6B27C46 (1)
Weight, g/mol:	297.139865
ΔH_f, kcal/mol:	-329.41
Dipole, Da:	1.1
IP(EA), eV:	-9.7(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z,2S)-1-hydroxyoct-5-en-2-yl]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CCCCCCCCCC[C@H]([C@@H]1CC[C@H](O1)[C@@H]2CC[C@@H](O2)[C@@H](CCC3=C[C@@H](OC3=O)C)O)O

DOS

IR

Vibrations