Geometry & MOs

Info

ID:	227581
PubChem CID:	87562036
Reduced:	BrFSO2N5C16H17 (1)
Stoich.:	ABCD2E5F16G17 (1)
Weight, g/mol:	270.020748
ΔH_f, kcal/mol:	-39.47
Dipole, Da:	1.19
IP(EA), eV:	-9.26(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-(3-chloro-2-fluorophenyl)-2-diazonio-3-ethoxy-3-oxoprop-1-en-1-olate

Drug info:

PubChemData

Smile

CC(C)(CF)C1=NC(=NO1)CCNC(=O)NC2=NC3=C(S2)C=C(C=C3)Br

DOS

IR

Vibrations