Geometry & MOs

Info

ID:	151333
PubChem CID:	53801086
Reduced:	N2O2C31H46 (1)
Stoich.:	A2B2C31D46 (1)
Weight, g/mol:	459.229074
ΔH_f, kcal/mol:	-132.68
Dipole, Da:	6.67
IP(EA), eV:	-8.93(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(1R,2R)-3-hydroxy-2-(3-hydroxyoct-1-enyl)-5-oxocyclopentyl]hept-5-enyl N-methylsulfonylcarbamate

Drug info:

PubChemData

Smile

C[C@@]12CCC[C@H]1[C@@H]3CCC4[C@@]([C@H]3CC2)(C=C(C(=O)N4C)C(=O)N(C)C5C6CC7CC(C6)CC5C7)C

DOS

IR

Vibrations