Geometry & MOs

Info

ID:	122546
PubChem CID:	50811637
Reduced:	NSO4H19C21 (1)
Stoich.:	ABC4D19E21 (1)
Weight, g/mol:	445.077552
ΔH_f, kcal/mol:	-94.82
Dipole, Da:	4.45
IP(EA), eV:	-8.62(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-N-(5-fluoro-2-methylphenyl)propanamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=CSC3=C2NC(=O)CC3C4=CC(=C(C=C4)O)OC

DOS

IR

Vibrations