Geometry & MOs

Info

ID:	339471
PubChem CID:	127261404
Reduced:	O2N5C15H15 (1)
Stoich.:	A2B5C15D15 (1)
Weight, g/mol:	449.158685
ΔH_f, kcal/mol:	17.17
Dipole, Da:	2.95
IP(EA), eV:	-8.75(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[3-[methyl-(2-oxo-1,3-benzoxazol-3-yl)amino]benzoyl]amino]benzoate;hydrate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)N(C)C2=CN=C(C(=N2)C#N)N

DOS

IR

Vibrations