Geometry & MOs

Info

ID:	343219
PubChem CID:	127266392
Reduced:	BrON4C14H23 (1)
Stoich.:	ABC4D14E23 (1)
Weight, g/mol:	298.115127
ΔH_f, kcal/mol:	-43.54
Dipole, Da:	1.87
IP(EA), eV:	-8.67(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-N-[4-(hydroxymethyl)thian-4-yl]-4-(methylamino)benzamide

Drug info:

PubChemData

Smile

CC(C)(CCCN(C)C)NC(=O)C1=CC(=NC(=C1)Br)N

DOS

IR

Vibrations