Geometry & MOs

Info

ID:	184918
PubChem CID:	77229303
Reduced:	BrN3O5H22C23 (1)
Stoich.:	AB3C5D22E23 (1)
Weight, g/mol:	541.197964
ΔH_f, kcal/mol:	-160.95
Dipole, Da:	5.86
IP(EA), eV:	-8.97(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[1-[(2-chloro-6-ethoxyphenyl)methyl]-5-ethyl-4-hydroxy-6-methyl-2-oxopyridin-3-yl]carbamoylamino]-3-(4-methylphenyl)propanoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(CC(=O)O)NC(=O)NC2=C(C=CN(C2=O)CC3=CC=CC=C3Br)O

DOS

IR

Vibrations