Geometry & MOs

Info

ID:	15515
PubChem CID:	443229
Reduced:	Cl2F3N3O3H10C13 (1)
Stoich.:	A2B3C3D3E10F13 (1)
Weight, g/mol:	383.005131
ΔH_f, kcal/mol:	-237.49
Dipole, Da:	4.63
IP(EA), eV:	-9.35(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenyl]propanoic acid

Drug info:

PubChemData

Smile

CC1=NN(C(=O)N1C(F)F)C2=C(C=C(C(=C2)CC(C(=O)O)Cl)Cl)F

DOS

IR

Vibrations