Geometry & MOs

Info

ID:	270976
PubChem CID:	103639060
Reduced:	BrNOSH12C16 (1)
Stoich.:	ABCDE12F16 (1)
Weight, g/mol:	351.98588
ΔH_f, kcal/mol:	22.54
Dipole, Da:	5.03
IP(EA), eV:	-9.08(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-bromo-2-methylphenyl)-4-fluoro-3-nitrobenzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Br)NC(=O)C2=CC3=CC=CC=C3S2

DOS

IR

Vibrations