Geometry & MOs

Info

ID:	431826
PubChem CID:	135171940
Reduced:	SO2F3N5C25H28 (1)
Stoich.:	AB2C3D5E25F28 (1)
Weight, g/mol:	533.207231
ΔH_f, kcal/mol:	-158.18
Dipole, Da:	4.89
IP(EA), eV:	-8.94(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CN(C1CCCCC1)C2=C(C=C(C=C2)C3=C(N=CC=C3)C(=O)O)NC4=NC(=NS4)C(F)(F)F

DOS

IR

Vibrations