Geometry & MOs

Info

ID:	31607
PubChem CID:	855928
Reduced:	FSO2N4H13C16 (1)
Stoich.:	ABC2D4E13F16 (1)
Weight, g/mol:	312.033541
ΔH_f, kcal/mol:	-33.07
Dipole, Da:	9.64
IP(EA), eV:	-8.87(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=NC(=NN2)SCC(=O)NC3=CC=C(C=C3)F)O

DOS

IR

Vibrations