Geometry & MOs

Info

ID:	292085
PubChem CID:	114449299
Reduced:	SF3N3O3C9H10 (1)
Stoich.:	AB3C3D3E9F10 (1)
Weight, g/mol:	309.075882
ΔH_f, kcal/mol:	-231.98
Dipole, Da:	7.7
IP(EA), eV:	-9.75(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclohexyl]acetic acid

Drug info:

PubChemData

Smile

COC1CC(N(C1)C2=NN=C(S2)C(F)(F)F)C(=O)O

DOS

IR

Vibrations