Geometry & MOs

Info

ID:	127552
PubChem CID:	51005889
Reduced:	BrNSO4C21H28 (1)
Stoich.:	ABCD4E21F28 (1)
Weight, g/mol:	1692.33628
ΔH_f, kcal/mol:	-144.67
Dipole, Da:	5.05
IP(EA), eV:	-9.58(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

COC(=O)CCC/C=C\C[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NS(=O)(=O)C3=CC(=CC=C3)Br

DOS

IR

Vibrations