Geometry & MOs

Info

ID:	431825
PubChem CID:	135171931
Reduced:	ClOSN8C21H29 (1)
Stoich.:	ABCD8E21F29 (1)
Weight, g/mol:	519.191581
ΔH_f, kcal/mol:	74.06
Dipole, Da:	6.92
IP(EA), eV:	-8.68(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[cyclohexyl(2-methylpropyl)amino]-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]phenyl]pyridine-2-carboxylic acid

Drug info:

PubChemData

Smile

C[C@H](CC1=NNN=N1)C2=CC(=C(C=C2)N(CC(C)C)C3CCOCC3)NC4=NC(=NS4)Cl

DOS

IR

Vibrations