Geometry & MOs

Info

ID:	227905
PubChem CID:	87562946
Reduced:	ClN4H15C17 (1)
Stoich.:	AB4C15D17 (1)
Weight, g/mol:	424.94141
ΔH_f, kcal/mol:	116.61
Dipole, Da:	6.29
IP(EA), eV:	-9.06(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-[7-bromo-3-(4-chlorophenyl)-4-oxo-2H-[1,2]oxazolo[5,4-c]pyridin-5-yl]-3-oxopropanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=C(N=NC=N3)Cl

DOS

IR

Vibrations