Geometry & MOs

Info

ID:	235026
PubChem CID:	92303909
Reduced:	SF2N2O2C20H20 (1)
Stoich.:	AB2C2D2E20F20 (1)
Weight, g/mol:	405.078111
ΔH_f, kcal/mol:	-143.96
Dipole, Da:	6.2
IP(EA), eV:	-9.0(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[5-[(2,6-difluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-phenylbutanamide

Drug info:

PubChemData

Smile

CCCCC(=O)NC1=CC=C(C=C1)[C@H]2N(C(=O)CS2)C3=C(C=C(C=C3)F)F

DOS

IR

Vibrations