Geometry & MOs

Info

ID:	184920
PubChem CID:	77229305
Reduced:	ClF3N3O5H21C24 (1)
Stoich.:	AB3C3D5E21F24 (1)
Weight, g/mol:	469.162915
ΔH_f, kcal/mol:	-324.31
Dipole, Da:	12.64
IP(EA), eV:	-9.54(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[(2-chlorophenyl)methyl]-4-hydroxy-5-methyl-2-oxopyridin-3-yl]-3-[phenyl(tetrazolidin-5-yl)methyl]urea

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN2C=CC(=C(C2=O)NC(=O)NC(CC3=CC(=CC=C3)C(F)(F)F)CC(=O)O)O)Cl

DOS

IR

Vibrations