Geometry & MOs

Info

ID:	30866
PubChem CID:	842071
Reduced:	SCl2O2N3H11C13 (1)
Stoich.:	AB2C2D3E11F13 (1)
Weight, g/mol:	323.076219
ΔH_f, kcal/mol:	4.56
Dipole, Da:	5.46
IP(EA), eV:	-9.56(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-phenoxybutanamide

Drug info:

PubChemData

Smile

C1CC1C2=NN=C(S2)NC(=O)COC3=C(C=CC(=C3)Cl)Cl

DOS

IR

Vibrations