Geometry & MOs

Info

ID:	366405
PubChem CID:	127319886
Reduced:	FSN4O4C17H23 (1)
Stoich.:	ABC4D4E17F23 (1)
Weight, g/mol:	310.200491
ΔH_f, kcal/mol:	-200.09
Dipole, Da:	3.52
IP(EA), eV:	-9.72(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NC3CCN(C3)C(=O)N

DOS

IR

Vibrations