Geometry & MOs

Info

ID:	188925
PubChem CID:	77787019
Reduced:	O2Cl4N5H17C23 (1)
Stoich.:	A2B4C5D17E23 (1)
Weight, g/mol:	512.20597
ΔH_f, kcal/mol:	23.55
Dipole, Da:	3.21
IP(EA), eV:	-8.9(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-[(4-oxo-4-pyrazin-2-ylbut-2-en-2-yl)amino]propanoic acid

Drug info:

PubChemData

Smile

CC(=C1C2=C(N=N1)N(C(=NC2=O)CC3=CC=C(C=C3)NC(=O)CCl)C4=C(C=C(C=C4Cl)Cl)Cl)C

DOS

IR

Vibrations