Geometry & MOs

Info

ID:	218214
PubChem CID:	85089036
Reduced:	SN3O4C23H25 (1)
Stoich.:	AB3C4D23E25 (1)
Weight, g/mol:	439.235873
ΔH_f, kcal/mol:	-107.09
Dipole, Da:	7.13
IP(EA), eV:	-9.52(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(2-cyclopentyl-1,2-dihydroxy-2-phenylethoxy)pyrrolidin-1-yl]-2-phenylmethoxyethanone

Drug info:

PubChemData

Smile

CC(C)(C)CN1C(C(=O)C(C1=O)C2=NS(=O)(=O)C3=CC=CC=C3N2)CC4=CC=CC=C4

DOS

IR

Vibrations