Geometry & MOs

Info

ID:	432142
PubChem CID:	135172274
Reduced:	SO2N4C24H32 (1)
Stoich.:	AB2C4D24E32 (1)
Weight, g/mol:	521.170845
ΔH_f, kcal/mol:	-40.24
Dipole, Da:	3.91
IP(EA), eV:	-8.54(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NSC(=N1)NC2=C(C=CC(=C2)C3=CC=CC=C3C(O)O)N(CC(C)C)CC(C)C

DOS

IR

Vibrations