Geometry & MOs

Info

ID:	432044
PubChem CID:	135172176
Reduced:	SO2F3N4C18H23 (1)
Stoich.:	AB2C3D4E18F23 (1)
Weight, g/mol:	416.149382
ΔH_f, kcal/mol:	-198.2
Dipole, Da:	8.41
IP(EA), eV:	-9.22(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[methyl(2-methylpropyl)amino]-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]phenyl]butanoic acid

Drug info:

PubChemData

Smile

C[C@H](CC(=O)O)C1=CC(=C(C=C1)N(C)CC(C)C)NC2=NC(=NS2)C(F)(F)F

DOS

IR

Vibrations