Geometry & MOs

Info

ID:	143188
PubChem CID:	53160889
Reduced:	FSO2N4H13C16 (1)
Stoich.:	ABC2D4E13F16 (1)
Weight, g/mol:	384.089226
ΔH_f, kcal/mol:	-13.68
Dipole, Da:	5.55
IP(EA), eV:	-8.97(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)pyridin-2-yl]sulfanylacetyl]amino]benzoate

Drug info:

PubChemData

Smile

CC1=NC(=NO1)C2=C(N=CC=C2)SCC(=O)NC3=CC(=CC=C3)F

DOS

IR

Vibrations