Geometry & MOs

Info

ID:	135969
PubChem CID:	51960767
Reduced:	FNSO5C17H22 (1)
Stoich.:	ABCD5E17F22 (1)
Weight, g/mol:	411.213362
ΔH_f, kcal/mol:	-259.05
Dipole, Da:	1.17
IP(EA), eV:	-9.86(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-N-cyclohexyl-2-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidine-1,2-dicarboxamide

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]1CCCN(C1)C(=O)[C@H](C)S(=O)(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations