Geometry & MOs

Info

ID:	431721
PubChem CID:	135171817
Reduced:	SF3O3N5C24H26 (1)
Stoich.:	AB3C3D5E24F26 (1)
Weight, g/mol:	487.144489
ΔH_f, kcal/mol:	-188.82
Dipole, Da:	8.93
IP(EA), eV:	-9.29(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CN(C1CCOCC1)C2=C(C=C(C=C2)C3=C(N=CC=C3)C(=O)O)NC4=NC(=NS4)C(F)(F)F

DOS

IR

Vibrations