Geometry & MOs

Info

ID:	177312
PubChem CID:	76166058
Reduced:	FN4O6C30H39 (1)
Stoich.:	AB4C6D30E39 (1)
Weight, g/mol:	475.205339
ΔH_f, kcal/mol:	-268.11
Dipole, Da:	5.19
IP(EA), eV:	-9.24(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-fluoro-4-methylsulfonylanilino)-1-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1CNC(C(=O)N(C(C(=O)NC(C(=O)NCCCC2=C(O1)C(=CC=C2)O)CC3=CC=C(C=C3)F)C)C)C4CC4O

DOS

IR

Vibrations