Geometry & MOs

Info

ID:	379652
PubChem CID:	134454373
Reduced:	BrFSO4N7C14H17 (1)
Stoich.:	ABCD4E7F14G17 (1)
Weight, g/mol:	162.100442
ΔH_f, kcal/mol:	-20.76
Dipole, Da:	3.77
IP(EA), eV:	-8.81(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-N-(2-hydroxyethyl)-3-(methylamino)propanamide

Drug info:

PubChemData

Smile

CS(=NC(=O)NCCNC\1=NON/C1=C(\NC2=CC(=C(C=C2)F)Br)/N=O)(=O)C

DOS

IR

Vibrations