Geometry & MOs

Info

ID:	400642
PubChem CID:	135048573
Reduced:	OSC21H30 (1)
Stoich.:	ABC21D30 (1)
Weight, g/mol:	393.270151
ΔH_f, kcal/mol:	-45.48
Dipole, Da:	2.74
IP(EA), eV:	-8.56(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-oct-3-enyl]-2,4,6-tripropylbenzenesulfonamide

Drug info:

PubChemData

Smile

C[C@H]1CC/C=C\2/CC[C@H]([C@H]([C@H]1O)C2SC3=CC=CC=C3)C(C)C

DOS

IR

Vibrations