Geometry & MOs

Info

ID:	373993
PubChem CID:	131322124
Reduced:	FNOSH10C12 (1)
Stoich.:	ABCDE10F12 (1)
Weight, g/mol:	381.84772
ΔH_f, kcal/mol:	-40.01
Dipole, Da:	4.48
IP(EA), eV:	-8.82(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(bromomethyl)-1-fluoro-5-iodo-3-(trifluoromethyl)benzene

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)CC(=O)C2=CC=C(S2)N

DOS

IR

Vibrations