Geometry & MOs

Info

ID:	295096
PubChem CID:	117517155
Reduced:	BrNO4C14H20 (1)
Stoich.:	ABC4D14E20 (1)
Weight, g/mol:	345.00343
ΔH_f, kcal/mol:	-153.98
Dipole, Da:	7.78
IP(EA), eV:	-8.71(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-bromo-4-(1,1-dioxothietan-3-yl)oxyphenyl]cyclobutan-1-amine

Drug info:

PubChemData

Smile

CCC1=C(C(=CC(=C1C(CCC(=O)O)N)Br)OC)OC

DOS

IR

Vibrations