Geometry & MOs

Info

ID:	337007
PubChem CID:	127256572
Reduced:	O3H14C17 (1)
Stoich.:	A3B14C17 (1)
Weight, g/mol:	456.153266
ΔH_f, kcal/mol:	-60.4
Dipole, Da:	2.53
IP(EA), eV:	-8.68(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[1-(2-carboxyethyl)-2,4-dihydro-3,1-benzoxazine-2-carbonyl]oxy-2,4-dihydro-3,1-benzoxazin-1-yl]propanoic acid

Drug info:

PubChemData

Smile

C1C=C(C2=CC=CC=C2O1)OC(=O)CC3=CC=CC=C3

DOS

IR

Vibrations