Geometry & MOs

Info

ID:	431724
PubChem CID:	135171820
Reduced:	SF3O3N5C24H32 (1)
Stoich.:	AB3C3D5E24F32 (1)
Weight, g/mol:	494.198777
ΔH_f, kcal/mol:	-249.39
Dipole, Da:	11.85
IP(EA), eV:	-9.2(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[5-(2-carboxyphenyl)-2-[cyclohexyl(2-methylpropyl)amino]anilino]-1,2,4-thiadiazole-3-carboxylic acid

Drug info:

PubChemData

Smile

C[C@H](CC(=O)O)C1=CC(=C(C=C1)N(CC(C)C)C2CCN(CC2)C(=O)C)NC3=NC(=NS3)C(F)(F)F

DOS

IR

Vibrations