Geometry & MOs

Info

ID:	228441
PubChem CID:	87564502
Reduced:	O3N5H23C26 (1)
Stoich.:	A3B5C23D26 (1)
Weight, g/mol:	371.030898
ΔH_f, kcal/mol:	16.32
Dipole, Da:	5.15
IP(EA), eV:	-8.35(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC\2=C(C=C1)NC(=O)/C2=C\C3=CC4=C(C=C3)C(=NN4)C5=CN=C(C=C5)N6CCOCC6

DOS

IR

Vibrations