Geometry & MOs

Info

ID:	72272
PubChem CID:	48415992
Reduced:	F2N3O3C20H21 (1)
Stoich.:	A2B3C3D20E21 (1)
Weight, g/mol:	359.141596
ΔH_f, kcal/mol:	-156.34
Dipole, Da:	4.06
IP(EA), eV:	-8.79(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)C3=CC(=C(C=C3)OC)OC(F)F

DOS

IR

Vibrations