Geometry & MOs

Info

ID:	419876
PubChem CID:	135109533
Reduced:	NF3O5H12C15 (1)
Stoich.:	AB3C5D12E15 (1)
Weight, g/mol:	360.216141
ΔH_f, kcal/mol:	-316.49
Dipole, Da:	5.86
IP(EA), eV:	-10.43(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-tert-butyl-4-[[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

C1[C@]2([C@@]1(CN(C2)C(=O)C3=CC(=CC=C3)C(F)(F)F)C(=O)O)C(=O)O

DOS

IR

Vibrations