Geometry & MOs

Info

ID:	184919
PubChem CID:	77229304
Reduced:	ClN3O6C28H32 (1)
Stoich.:	AB3C6D28E32 (1)
Weight, g/mol:	523.112183
ΔH_f, kcal/mol:	-238.35
Dipole, Da:	2.49
IP(EA), eV:	-8.45(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[1-[(2-chlorophenyl)methyl]-4-hydroxy-2-oxopyridin-3-yl]carbamoylamino]-4-[3-(trifluoromethyl)phenyl]butanoic acid

Drug info:

PubChemData

Smile

CCC1=C(N(C(=O)C(=C1O)NC(=O)NC(CC(=O)O)C2=CC=C(C=C2)C)CC3=C(C=CC=C3Cl)OCC)C

DOS

IR

Vibrations