Geometry & MOs

Info

ID:	205600
PubChem CID:	80124732
Reduced:	BrNF4H12C15 (1)
Stoich.:	ABC4D12E15 (1)
Weight, g/mol:	338.029892
ΔH_f, kcal/mol:	-143.69
Dipole, Da:	2.47
IP(EA), eV:	-9.49(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dichlorophenyl)-2-[(3,5-dimethylphenyl)methylsulfanyl]ethanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)C(C2=C(C=C(C=C2F)Br)F)NC)F

DOS

IR

Vibrations