Geometry & MOs

Info

ID:	271728
PubChem CID:	103689725
Reduced:	BrSN3O4C12H12 (1)
Stoich.:	ABC3D4E12F12 (1)
Weight, g/mol:	239.107005
ΔH_f, kcal/mol:	-92.31
Dipole, Da:	3.94
IP(EA), eV:	-9.44(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-fluoropyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C=C1NS(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)O)C

DOS

IR

Vibrations