Geometry & MOs

Info

ID:	122522
PubChem CID:	50810281
Reduced:	ClSO3N4H17C20 (1)
Stoich.:	ABC3D4E17F20 (1)
Weight, g/mol:	412.10054
ΔH_f, kcal/mol:	-0.14
Dipole, Da:	3.57
IP(EA), eV:	-8.88(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-fluorophenyl)-3-[3-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]propanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)NC(=O)CCC2=NC(=NO2)CSC3=NC4=CC=CC=C4O3

DOS

IR

Vibrations