Geometry & MOs

Info

ID:	164353
PubChem CID:	74387024
Reduced:	SF2O3H6C8 (1)
Stoich.:	AB2C3D6E8 (1)
Weight, g/mol:	513.133397
ΔH_f, kcal/mol:	-191.52
Dipole, Da:	3.87
IP(EA), eV:	-10.51(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2C3(C(=O)SC(=O)C3(C1O2)F)F

DOS

IR

Vibrations