Geometry & MOs

Info

ID:	188279
PubChem CID:	77692755
Reduced:	N4O5C22H30 (1)
Stoich.:	A4B5C22D30 (1)
Weight, g/mol:	449.183838
ΔH_f, kcal/mol:	-197.11
Dipole, Da:	6.71
IP(EA), eV:	-9.52(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(ethylcarbamoyl)-3-methoxy-2-(4-phenoxyphenyl)phenyl]-2-methoxypropanoic acid

Drug info:

PubChemData

Smile

C1CC2C(CC1C=CCN)C(=O)NC(N2)CC(C(=O)O)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations