Geometry & MOs

Info

ID:	373202
PubChem CID:	131311452
Reduced:	NSO3H9C11 (1)
Stoich.:	ABC3D9E11 (1)
Weight, g/mol:	278.96617
ΔH_f, kcal/mol:	-5.77
Dipole, Da:	8.82
IP(EA), eV:	-9.56(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R)-3-amino-3-(2-bromo-4-chlorophenyl)propane-1,2-diol

Drug info:

PubChemData

Smile

CCC1=C(C2=C(S1)C=CC(=C2)[N+](=O)[O-])C=O

DOS

IR

Vibrations