Geometry & MOs

Info

ID:	235019
PubChem CID:	92303893
Reduced:	FN2O4C24H27 (1)
Stoich.:	AB2C4D24E27 (1)
Weight, g/mol:	327.026682
ΔH_f, kcal/mol:	-175.79
Dipole, Da:	6.01
IP(EA), eV:	-8.96(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-chloro-N-[5-(2-phenylethylsulfanyl)-1,3,4-thiadiazol-2-yl]propanamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(C(=O)N[C@H]1C2=CC=CC=C2F)C)COC3=CC=C(C=C3)C(C)C

DOS

IR

Vibrations