Geometry & MOs

Info

ID:	141030
PubChem CID:	52806099
Reduced:	FSN2O4C21H26 (1)
Stoich.:	ABC2D4E21F26 (1)
Weight, g/mol:	355.082447
ΔH_f, kcal/mol:	-162.0
Dipole, Da:	14.01
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.766764
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(4-fluorophenyl)methyl-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]amino]acetate

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=C(C=C1)NC(=O)C[NH+](C[C@H]2CCCO2)CC3=CC(=CC=C3)F

DOS

IR

Vibrations