Geometry & MOs

Info

ID:	61277
PubChem CID:	26707894
Reduced:	FSO3N4H21C23 (1)
Stoich.:	ABC3D4E21F23 (1)
Weight, g/mol:	386.96731
ΔH_f, kcal/mol:	-29.58
Dipole, Da:	2.35
IP(EA), eV:	-8.71(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-2-fluorobenzamide

Drug info:

PubChemData

Smile

COCCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CCC3=NC(=NO3)C4=CC=C(C=C4)F

DOS

IR

Vibrations