Geometry & MOs

Info

ID:	159712
PubChem CID:	57288655
Reduced:	O9C23H28 (1)
Stoich.:	A9B23C28 (1)
Weight, g/mol:	387.150429
ΔH_f, kcal/mol:	-364.92
Dipole, Da:	4.16
IP(EA), eV:	-9.41(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,4R)-1-(2-naphthalen-1-ylethyl)-5-oxo-4-prop-2-enylpyrrolidin-2-yl]methyl methanesulfonate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OCC(=O)O)C)C2=CC=CC(=C2)CO[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O

DOS

IR

Vibrations