Geometry & MOs

Info

ID:	228467
PubChem CID:	87564663
Reduced:	FeINOC12H12 (1)
Stoich.:	ABCDE12F12 (1)
Weight, g/mol:	427.99386
ΔH_f, kcal/mol:	180.39
Dipole, Da:	12.18
IP(EA), eV:	-6.19(-2.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-bromoanilino)ethyl-[(2-chloro-4-fluorophenyl)methyl]amino] 2-oxoacetate

Drug info:

PubChemData

Smile

[CH-]1[CH-][CH-][CH-][CH-]1.C1=C[C-](C=C1)NC(=O)CI.[Fe]

DOS

IR

Vibrations