Geometry & MOs

Info

ID:	436434
PubChem CID:	135202765
Reduced:	ClN3O3C26H26 (1)
Stoich.:	AB3C3D26E26 (1)
Weight, g/mol:	381.973497
ΔH_f, kcal/mol:	-19.01
Dipole, Da:	3.48
IP(EA), eV:	-8.19(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dichloro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]benzoic acid

Drug info:

PubChemData

Smile

C/C(=C\C=C(/C=C)\C(=O)NCC1=CC(=C(C=C1)OC)OC)/NC2=NC=CC3=C2C=C(C=C3)Cl

DOS

IR

Vibrations