Geometry & MOs

Info

ID:	376561
PubChem CID:	134222580
Reduced:	Br2N3O3H9C11 (1)
Stoich.:	A2B3C3D9E11 (1)
Weight, g/mol:	344.95158
ΔH_f, kcal/mol:	-61.08
Dipole, Da:	3.85
IP(EA), eV:	-9.47(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-bromo-5-chloropyrazin-2-yl)amino]-3-(furan-2-yl)propanoic acid

Drug info:

PubChemData

Smile

C1=COC(=C1)CC(C(=O)O)NC2=NC=C(N=C2Br)Br

DOS

IR

Vibrations