Geometry & MOs

Info

ID:	284499
PubChem CID:	104051586
Reduced:	BrSO4C14H17 (1)
Stoich.:	ABC4D14E17 (1)
Weight, g/mol:	364.01326
ΔH_f, kcal/mol:	-152.7
Dipole, Da:	4.38
IP(EA), eV:	-9.35(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1OC)C(=O)C2CCS(=O)(=O)C2)C)Br

DOS

IR

Vibrations