Geometry & MOs

Info

ID:	209996
PubChem CID:	80748924
Reduced:	BrO2N5C13H14 (1)
Stoich.:	AB2C5D13E14 (1)
Weight, g/mol:	217.095023
ΔH_f, kcal/mol:	35.56
Dipole, Da:	3.3
IP(EA), eV:	-9.11(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-3-hydroxy-2-[(2-methyloxolane-2-carbonyl)amino]propanoic acid

Drug info:

PubChemData

Smile

CCNC1=C(C(=NC=N1)NC2=C(C=C(C=C2)Br)C)[N+](=O)[O-]

DOS

IR

Vibrations