Geometry & MOs

Info

ID:	49710
PubChem CID:	11533621
Reduced:	F3O3N4C27H29 (1)
Stoich.:	A3B3C4D27E29 (1)
Weight, g/mol:	514.210387
ΔH_f, kcal/mol:	-229.89
Dipole, Da:	5.65
IP(EA), eV:	-9.41(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[2-(2-methoxyphenyl)acetyl]amino]-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoic acid

Drug info:

PubChemData

Smile

CC[C@@H](C1=CC=CC=C1)C(=O)NCC2=C(N=CC(=C2)C(F)(F)F)NCCNC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations