Geometry & MOs

Info

ID:	291935
PubChem CID:	113862960
Reduced:	NSBr2O4C10H11 (1)
Stoich.:	ABC2D4E10F11 (1)
Weight, g/mol:	314.0266
ΔH_f, kcal/mol:	-133.63
Dipole, Da:	5.89
IP(EA), eV:	-10.02(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-bromophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide

Drug info:

PubChemData

Smile

C1C(C(CN1S(=O)(=O)C2=C(C=C(C=C2)Br)Br)O)O

DOS

IR

Vibrations