Geometry & MOs

Info

ID:	265888
PubChem CID:	103555997
Reduced:	BrSO2C12H15 (1)
Stoich.:	ABC2D12E15 (1)
Weight, g/mol:	342.04667
ΔH_f, kcal/mol:	-52.7
Dipole, Da:	3.56
IP(EA), eV:	-9.16(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromo-4,6-dimethoxyphenyl)-2-(1-methoxycyclobutyl)ethanone

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)C(=O)CC2(CCC2)OC)Br

DOS

IR

Vibrations