Geometry & MOs

Info

ID:	44826
PubChem CID:	10506068
Reduced:	NO7C30H31 (1)
Stoich.:	AB7C30D31 (1)
Weight, g/mol:	517.225308
ΔH_f, kcal/mol:	-188.99
Dipole, Da:	5.64
IP(EA), eV:	-8.76(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-1-[(2S)-5-oxo-1-(9-phenylfluoren-9-yl)pyrrolidin-2-yl]ethyl] (2R)-2-methoxy-2-phenylacetate

Drug info:

PubChemData

Smile

CN(C)CCCOC1=CC=C(C=C1)CC2=C(C(=O)OC2(C3=CC=C(C=C3)OC)O)C4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations