Geometry & MOs

Info

ID:	66137
PubChem CID:	46499933
Reduced:	BrN2O2F3C16H16 (1)
Stoich.:	AB2C2D3E16F16 (1)
Weight, g/mol:	438.153934
ΔH_f, kcal/mol:	-200.04
Dipole, Da:	6.38
IP(EA), eV:	-9.8(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[[3-(1,3-dioxoisoindol-2-yl)propanoylamino]carbamoyl]-2,6-dimethylpyridine-3-carboxylate

Drug info:

PubChemData

Smile

CC1CCC2=NN(C(C2C1)(C(F)(F)F)O)C(=O)C3=CC(=CC=C3)Br

DOS

IR

Vibrations