Geometry & MOs

Info

ID:	295171
PubChem CID:	117520155
Reduced:	BrClSO3C13H16 (1)
Stoich.:	ABCD3E13F16 (1)
Weight, g/mol:	367.07831
ΔH_f, kcal/mol:	-123.3
Dipole, Da:	3.95
IP(EA), eV:	-9.43(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-bromo-4-(2-morpholin-4-ylethyl)phenyl]cyclobutane-1-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C=C2CCCCCC2=C1Br)CS(=O)(=O)Cl

DOS

IR

Vibrations