Geometry & MOs

Info

ID:	327456
PubChem CID:	126689959
Reduced:	N5O6C18H31 (1)
Stoich.:	A5B6C18D31 (1)
Weight, g/mol:	356.235145
ΔH_f, kcal/mol:	-291.73
Dipole, Da:	7.14
IP(EA), eV:	-9.7(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z,8aR,9S,11aS)-9-[(3R)-3-hydroxy-5-phenylpentyl]-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one

Drug info:

PubChemData

Smile

C[C@H]([C@@H](C(=O)N1CCC[C@H]1C(=O)N2CCC[C@H]2C(=O)NC(C(C)O)C(=O)N)N)O

DOS

IR

Vibrations