Geometry & MOs

Info

ID:	43907
PubChem CID:	10321965
Reduced:	OSF3N3C24H24 (1)
Stoich.:	ABC3D3E24F24 (1)
Weight, g/mol:	459.183444
ΔH_f, kcal/mol:	-117.44
Dipole, Da:	5.46
IP(EA), eV:	-8.91(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (2S)-4-oxo-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CSC(=N1)C2(CCN(CC2)CC3=CC=CC=C3)N(C4=CC=CC=C4)C(=O)C(F)(F)F

DOS

IR

Vibrations