Geometry & MOs

Info

ID:	136020
PubChem CID:	51967131
Reduced:	FNO6H26C27 (1)
Stoich.:	ABC6D26E27 (1)
Weight, g/mol:	491.191249
ΔH_f, kcal/mol:	-179.52
Dipole, Da:	5.52
IP(EA), eV:	-8.65(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)CN2[C@H]([C@@H](C2=O)OC3=CC=C(C=C3)F)C4=CC5=C(C=C4)OCC5

DOS

IR

Vibrations