Geometry & MOs

Info

ID:	426755
PubChem CID:	135153703
Reduced:	Cl2F2S2N3H5C10 (1)
Stoich.:	A2B2C2D3E5F10 (1)
Weight, g/mol:	500.206897
ΔH_f, kcal/mol:	-14.99
Dipole, Da:	3.34
IP(EA), eV:	-9.27(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)NC(=S)C2=C(N=NS2)C(F)F)Cl

DOS

IR

Vibrations