Geometry & MOs

Info

ID:	125430
PubChem CID:	50923950
Reduced:	ClN2O5H25C28 (1)
Stoich.:	AB2C5D25E28 (1)
Weight, g/mol:	486.179087
ΔH_f, kcal/mol:	-110.8
Dipole, Da:	6.17
IP(EA), eV:	-9.2(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[4-[4-[1-(2-methoxyphenyl)ethoxycarbonylamino]-5-methyl-1,2-oxazol-3-yl]phenyl]phenyl]acetic acid

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C2=CC=C(C=C2)CC3=CC=C(C=C3)CC(=O)O)NC(=O)OC(C)C4=CC=CC=C4Cl

DOS

IR

Vibrations