Geometry & MOs

Info

ID:	284498
PubChem CID:	104051585
Reduced:	BrO3C17H23 (1)
Stoich.:	AB3C17D23 (1)
Weight, g/mol:	360.00309
ΔH_f, kcal/mol:	-131.21
Dipole, Da:	1.18
IP(EA), eV:	-9.2(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromo-2-methoxy-3,6-dimethylphenyl)-(1,1-dioxothiolan-3-yl)methanone

Drug info:

PubChemData

Smile

CC1C(OC(C1C(=O)C2=C(C(=CC(=C2C)Br)C)OC)C)C

DOS

IR

Vibrations