Geometry & MOs

Info

ID:	188935
PubChem CID:	77787029
Reduced:	NOC5H7 (3)
Stoich.:	ABC5D7 (3)
Weight, g/mol:	608.249807
ΔH_f, kcal/mol:	-103.33
Dipole, Da:	6.6
IP(EA), eV:	-8.49(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[3-(5-ethyl-2-phenyl-1,3-oxazol-4-yl)propoxy]phenyl]-2-[[4-hydroxy-4-[4-(trifluoromethyl)phenyl]but-2-en-2-yl]amino]propanoic acid

Drug info:

PubChemData

Smile

CCCOC1=CN=CC(=C1)N2CC3CN(CC3C2)C(=O)O

DOS

IR

Vibrations