Geometry & MOs

Info

ID:	284537
PubChem CID:	104051638
Reduced:	BrSO2H13C14 (1)
Stoich.:	ABC2D13E14 (1)
Weight, g/mol:	350.03177
ΔH_f, kcal/mol:	-26.88
Dipole, Da:	4.91
IP(EA), eV:	-9.11(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations