Geometry & MOs

Info

ID:	167466
PubChem CID:	74832332
Reduced:	N3O4H9C11 (1)
Stoich.:	A3B4C9D11 (1)
Weight, g/mol:	351.123049
ΔH_f, kcal/mol:	-97.97
Dipole, Da:	4.36
IP(EA), eV:	-9.77(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-(4-fluorophenyl)-7-methyl-4-oxo-3,3a,5,6,7,7a-hexahydro-2H-[1,2]oxazolo[5,4-c]pyridine-5-carbonyl]amino]acetic acid

Drug info:

PubChemData

Smile

C1C(=O)NC(=O)N1N=CC2=CC=CC=C2C(=O)O

DOS

IR

Vibrations