Geometry & MOs

Info

ID:	371896
PubChem CID:	131277970
Reduced:	BrIO2H6C8 (1)
Stoich.:	ABC2D6E8 (1)
Weight, g/mol:	180.056863
ΔH_f, kcal/mol:	-20.52
Dipole, Da:	3.53
IP(EA), eV:	-9.4(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]methanesulfonamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1)Br)I)C=O

DOS

IR

Vibrations