Geometry & MOs

Info

ID:	268860
PubChem CID:	103601268
Reduced:	BrClINOSH10C13 (1)
Stoich.:	ABCDEFG10H13 (1)
Weight, g/mol:	287.107005
ΔH_f, kcal/mol:	27.47
Dipole, Da:	4.11
IP(EA), eV:	-9.13(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-(3-fluoroanilino)-2-oxoethyl]amino]benzamide

Drug info:

PubChemData

Smile

CN(CC1=CC=C(S1)Cl)C(=O)C2=C(C=CC(=C2)Br)I

DOS

IR

Vibrations