Geometry & MOs

Info

ID:	139634
PubChem CID:	52573085
Reduced:	NSF3O3C21H22 (1)
Stoich.:	ABC3D3E21F22 (1)
Weight, g/mol:	346.225643
ΔH_f, kcal/mol:	-231.12
Dipole, Da:	5.5
IP(EA), eV:	-9.75(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-[(1S,2S)-2-tert-butylcyclohexyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC(=CC=C1)C(F)(F)F)N(C2CC2)C(=O)C3=CC=CC(=C3)CS(=O)(=O)C

DOS

IR

Vibrations