Geometry & MOs

Info

ID:	431731
PubChem CID:	135171834
Reduced:	SF3O4N5C26H38 (1)
Stoich.:	AB3C4D5E26F38 (1)
Weight, g/mol:	211.120843
ΔH_f, kcal/mol:	-296.23
Dipole, Da:	11.18
IP(EA), eV:	-9.02(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-oxocyclohexyl)pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

C[C@H](CC(=O)O)C1=CC(=C(C=C1)N(CC(C)C)C2CCN(CC2)C(CCOC)O)NC3=NC(=NS3)C(F)(F)F

DOS

IR

Vibrations