Geometry & MOs

Info

ID:	284509
PubChem CID:	104051599
Reduced:	BrSO2C15H15 (1)
Stoich.:	ABC2D15E15 (1)
Weight, g/mol:	415.92458
ΔH_f, kcal/mol:	-44.07
Dipole, Da:	3.58
IP(EA), eV:	-8.78(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromo-3-fluorophenyl)-(5-bromo-2-methoxy-3,6-dimethylphenyl)methanone

Drug info:

PubChemData

Smile

CC1=C(SC=C1)C(=O)C2=C(C(=CC(=C2C)Br)C)OC

DOS

IR

Vibrations