Geometry & MOs

Info

ID:	235027
PubChem CID:	92303910
Reduced:	OF2S2N3H17C19 (1)
Stoich.:	AB2C2D3E17F19 (1)
Weight, g/mol:	405.078111
ΔH_f, kcal/mol:	-47.58
Dipole, Da:	4.83
IP(EA), eV:	-8.43(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@@H](C1=CC=CC=C1)C(=O)NC2=NN=C(S2)SCC3=C(C=CC=C3F)F

DOS

IR

Vibrations