Geometry & MOs

Info

ID:	302512
PubChem CID:	124362025
Reduced:	NO6C16H27 (1)
Stoich.:	AB6C16D27 (1)
Weight, g/mol:	445.355594
ΔH_f, kcal/mol:	-289.44
Dipole, Da:	2.78
IP(EA), eV:	-9.74(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(cyclohexen-1-yl)ethyl]-7-[(1R,2R)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]heptanamide

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@H]1[C@@H]2[C@H]([C@@H]3[C@H](O1)OC(O3)(C)C)OC(O2)(C)C

DOS

IR

Vibrations