Geometry & MOs

Info

ID:	206316
PubChem CID:	80229613
Reduced:	NOSF4H11C14 (1)
Stoich.:	ABCD4E11F14 (1)
Weight, g/mol:	251.163377
ΔH_f, kcal/mol:	-206.38
Dipole, Da:	3.52
IP(EA), eV:	-8.94(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyanomethyl)-N'-(4,4-dimethylcyclohexyl)-N'-methyloxamide

Drug info:

PubChemData

Smile

CC1=CSC=C1CNC(=O)C2=C(C=CC(=C2)C(F)(F)F)F

DOS

IR

Vibrations