Geometry & MOs

Info

ID:	401197
PubChem CID:	135050552
Reduced:	SO8C19H26 (1)
Stoich.:	AB8C19D26 (1)
Weight, g/mol:	273.209264
ΔH_f, kcal/mol:	-338.05
Dipole, Da:	5.12
IP(EA), eV:	-9.85(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-but-2-enyl]-N-[(1R)-1-phenylethyl]hexanamide

Drug info:

PubChemData

Smile

CC1(OCC(O1)C2[C@H]([C@@H]3[C@H](O2)OC(O3)(C)C)OS(=O)(=O)CC4=CC=CC=C4)C

DOS

IR

Vibrations