Geometry & MOs

Info

ID:	447294
PubChem CID:	135281802
Reduced:	FOSN3C21H28 (1)
Stoich.:	ABCD3E21F28 (1)
Weight, g/mol:	417.24277
ΔH_f, kcal/mol:	-26.76
Dipole, Da:	3.16
IP(EA), eV:	-8.34(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4R)-N-[5-[(3S)-3-cyclopropyl-3-(2-oxopiperidin-1-yl)propyl]-2-fluorophenyl]-4-methoxypyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)[S@](=O)N[C@@](CCC1CC1)(C2=CC(=C(C=C2)F)N)C3=CC=CC=N3

DOS

IR

Vibrations