Geometry & MOs

Info

ID:	447783
PubChem CID:	135285733
Reduced:	BrFSN2O4C11H12 (1)
Stoich.:	ABCD2E4F11G12 (1)
Weight, g/mol:	346.98269
ΔH_f, kcal/mol:	-183.27
Dipole, Da:	4.27
IP(EA), eV:	-10.12(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(4-bromophenyl)sulfonylamino]cyclobutane-1-carboxylate

Drug info:

PubChemData

Smile

C1[C@@H]([C@@H](CN1S(=O)(=O)C2=CC=C(C=C2)Br)F)NC(=O)O

DOS

IR

Vibrations