Geometry & MOs

Info

ID:	372336
PubChem CID:	131296358
Reduced:	ClNOSH10C11 (1)
Stoich.:	ABCDE10F11 (1)
Weight, g/mol:	313.93209
ΔH_f, kcal/mol:	4.61
Dipole, Da:	4.48
IP(EA), eV:	-8.96(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-1-[4-chloro-3-(trifluoromethyl)phenyl]propan-2-one

Drug info:

PubChemData

Smile

CC(C(=O)C1=CC(=CC(=C1)C#N)SC)Cl

DOS

IR

Vibrations