Geometry & MOs

Info

ID:	447299
PubChem CID:	135281823
Reduced:	NO5C15H19 (1)
Stoich.:	AB5C15D19 (1)
Weight, g/mol:	526.24139
ΔH_f, kcal/mol:	-199.35
Dipole, Da:	8.1
IP(EA), eV:	-9.98(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4R)-N-[5-[(1R)-1-[[(R)-tert-butylsulfinyl]amino]-1-(3-cyanophenyl)-3-cyclopropylpropyl]-2-fluorophenyl]-4-hydroxypyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCO[C@@H]1C[C@@H](N(C1)C(=O)OCC2=CC=CC=C2)C(=O)O

DOS

IR

Vibrations