Geometry & MOs

Info

ID:	426765
PubChem CID:	135153776
Reduced:	NF3O3H12C13 (1)
Stoich.:	AB3C3D12E13 (1)
Weight, g/mol:	287.034018
ΔH_f, kcal/mol:	-228.84
Dipole, Da:	5.29
IP(EA), eV:	-9.8(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(difluoromethyl)-N-(4-fluoro-2-methylphenyl)thiadiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=[N+](C(C(C1)C2=CC=C(C=C2)C(F)(F)F)C(=O)O)[O-]

DOS

IR

Vibrations