Geometry & MOs

Info

ID:	129162
PubChem CID:	51071803
Reduced:	FSN3O3C17H24 (1)
Stoich.:	ABC3D3E17F24 (1)
Weight, g/mol:	429.262757
ΔH_f, kcal/mol:	-166.72
Dipole, Da:	4.61
IP(EA), eV:	-9.3(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(2,2-dimethylpropanoyl)-N-[4-[(4-methoxybenzoyl)amino]cyclohexyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H](NC1)C(=O)NC2CCC(CC2)NS(=O)(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations