Geometry & MOs

Info

ID:	132287
PubChem CID:	51337142
Reduced:	FN3O3C18H22 (1)
Stoich.:	AB3C3D18E22 (1)
Weight, g/mol:	382.152872
ΔH_f, kcal/mol:	-137.57
Dipole, Da:	6.3
IP(EA), eV:	-9.64(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[benzyl-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoyl]amino]propanoate

Drug info:

PubChemData

Smile

COC(=O)CCCCCCNC(=O)C1=C(NN=C1)C2=CC=C(C=C2)F

DOS

IR

Vibrations