Geometry & MOs

Info

ID:	376560
PubChem CID:	134222579
Reduced:	ClO2N5H16C22 (1)
Stoich.:	AB2C5D16E22 (1)
Weight, g/mol:	390.89902
ΔH_f, kcal/mol:	67.39
Dipole, Da:	8.02
IP(EA), eV:	-7.97(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,5-dibromopyrazin-2-yl)amino]-3-(furan-2-yl)propanoic acid

Drug info:

PubChemData

Smile

C1=COC(=C1)CC2=NC3=C(NC(=CN3C2=O)C4=CC=C(C=C4)N)C5=CC(=NC=C5)Cl

DOS

IR

Vibrations