Geometry & MOs

Info

ID:	187879
PubChem CID:	77637804
Reduced:	N3O4C28H35 (1)
Stoich.:	A3B4C28D35 (1)
Weight, g/mol:	436.059277
ΔH_f, kcal/mol:	-148.91
Dipole, Da:	3.34
IP(EA), eV:	-8.32(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-[3,5-dichloro-4-[2-[2-(3-hydroxyphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]propanoic acid

Drug info:

PubChemData

Smile

CC1=C(C2=C(N1)C=CC(=C2)OC)CC(=O)NC(CCCCCC(=O)C)C(=O)NCC3=CC=CC=C3

DOS

IR

Vibrations