Geometry & MOs

Info

ID:	284508
PubChem CID:	104051598
Reduced:	BrSO2C15H15 (1)
Stoich.:	ABC2D15E15 (1)
Weight, g/mol:	337.99761
ΔH_f, kcal/mol:	-44.6
Dipole, Da:	4.45
IP(EA), eV:	-8.84(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromo-2-methoxy-3,6-dimethylphenyl)-(3-methylthiophen-2-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C(=O)C2=C(C(=CC(=C2C)Br)C)OC

DOS

IR

Vibrations