Geometry & MOs

Info

ID:	49353
PubChem CID:	11532901
Reduced:	FSO3H23C29 (1)
Stoich.:	ABC3D23E29 (1)
Weight, g/mol:	470.274485
ΔH_f, kcal/mol:	-77.79
Dipole, Da:	5.03
IP(EA), eV:	-9.0(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl]-[(2S,3R,4S)-3-hydroxy-2,4-dimethyl-3-phenylpiperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(CSCC1=CC(=CC=C1)C2=CC(=C(C=C2)C3=CC=CC4=C3OC5=CC=CC=C45)F)C(=O)O

DOS

IR

Vibrations