Geometry & MOs

Info

ID:	265881
PubChem CID:	103555953
Reduced:	BrSO2C11H13 (1)
Stoich.:	ABC2D11E13 (1)
Weight, g/mol:	224.087101
ΔH_f, kcal/mol:	-42.47
Dipole, Da:	3.48
IP(EA), eV:	-9.57(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-methoxycyclobutyl)-1-(3-methylthiophen-2-yl)ethanone

Drug info:

PubChemData

Smile

COC1(CCC1)CC(=O)C2=CC=C(S2)Br

DOS

IR

Vibrations