Geometry & MOs

Info

ID:	149712
PubChem CID:	53789387
Reduced:	BrNSO3C13H20 (1)
Stoich.:	ABCD3E13F20 (1)
Weight, g/mol:	595.170665
ΔH_f, kcal/mol:	-121.54
Dipole, Da:	1.96
IP(EA), eV:	-9.21(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(O)S(=O)(=O)C1=CC=CC=C1)NCBr

DOS

IR

Vibrations