Geometry & MOs

Info

ID:	184917
PubChem CID:	77229173
Reduced:	ClN3O7C28H32 (1)
Stoich.:	AB3C7D28E32 (1)
Weight, g/mol:	499.07428
ΔH_f, kcal/mol:	-264.38
Dipole, Da:	3.18
IP(EA), eV:	-8.98(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[1-[(2-bromophenyl)methyl]-4-hydroxy-2-oxopyridin-3-yl]carbamoylamino]-3-(4-methylphenyl)propanoic acid

Drug info:

PubChemData

Smile

CCCOC1=C(C(=CC=C1)Cl)CN2C=C(C(=C(C2=O)NC(=O)NC(CC(=O)O)C3=CC(=CC=C3)OCC)O)C

DOS

IR

Vibrations