Geometry & MOs

Info

ID:	161842
PubChem CID:	57392820
Reduced:	FO3H17C18 (1)
Stoich.:	AB3C17D18 (1)
Weight, g/mol:	557.273499
ΔH_f, kcal/mol:	-91.53
Dipole, Da:	3.35
IP(EA), eV:	-9.55(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(3R)-3-butyl-2-oxopyrrolidin-1-yl]-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4R)-4-propylsulfonylpyrrolidin-2-yl]propan-2-yl]propanamide

Drug info:

PubChemData

Smile

C1C(O1)COC2=CC=CC=C2C(=O)CCC3=CC=C(C=C3)F

DOS

IR

Vibrations