Geometry & MOs

Info

ID:	426686
PubChem CID:	135153341
Reduced:	ClOS2N3F5H5C11 (1)
Stoich.:	ABC2D3E5F5G11 (1)
Weight, g/mol:	498.227632
ΔH_f, kcal/mol:	-208.84
Dipole, Da:	2.89
IP(EA), eV:	-9.31(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1OC(F)(F)F)Cl)NC(=S)C2=C(N=NS2)C(F)F

DOS

IR

Vibrations