Geometry & MOs

Info

ID:	188929
PubChem CID:	77787023
Reduced:	N7C17H19 (1)
Stoich.:	A7B17C19 (1)
Weight, g/mol:	569.2162
ΔH_f, kcal/mol:	151.96
Dipole, Da:	4.79
IP(EA), eV:	-9.59(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[2-(5-ethyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-[[4-(4-nitrophenyl)-4-oxobut-2-en-2-yl]amino]propanoic acid

Drug info:

PubChemData

Smile

C1C(NNN1)N2C(=NN=C2C3=CN=CC=C3)CCC4=CC=CC=C4

DOS

IR

Vibrations