Geometry & MOs

Info

ID:	199204
PubChem CID:	79215283
Reduced:	ClNOSH12C16 (1)
Stoich.:	ABCDE12F16 (1)
Weight, g/mol:	349.99761
ΔH_f, kcal/mol:	21.84
Dipole, Da:	3.49
IP(EA), eV:	-8.52(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromo-2-methoxy-4-methylphenyl)-(4-methylsulfanylphenyl)methanone

Drug info:

PubChemData

Smile

CSC1=CC=C(C=C1)C(=O)C2=CNC3=C2C=C(C=C3)Cl

DOS

IR

Vibrations