Geometry & MOs

Info

ID:	227775
PubChem CID:	87562460
Reduced:	FBr2C4H7 (1)
Stoich.:	AB2C4D7 (1)
Weight, g/mol:	445.155257
ΔH_f, kcal/mol:	-66.17
Dipole, Da:	2.27
IP(EA), eV:	-10.48(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2-hydroxyethyl)-4-(2-sulfoethyl)piperazin-2-yl]-3-morpholin-4-ylpropane-1-sulfonic acid

Drug info:

PubChemData

Smile

CC(CC(Br)Br)F

DOS

IR

Vibrations