Geometry & MOs

Info

ID:	284500
PubChem CID:	104051587
Reduced:	BrSO2C17H17 (1)
Stoich.:	ABC2D17E17 (1)
Weight, g/mol:	336.01612
ΔH_f, kcal/mol:	-35.66
Dipole, Da:	4.63
IP(EA), eV:	-8.72(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1OC)C(=O)C2=CC=C(C=C2)SC)C)Br

DOS

IR

Vibrations