Geometry & MOs

Info

ID:	72263
PubChem CID:	48415983
Reduced:	SO2N3C23H23 (1)
Stoich.:	AB2C3D23E23 (1)
Weight, g/mol:	403.200825
ΔH_f, kcal/mol:	9.35
Dipole, Da:	9.34
IP(EA), eV:	-8.54(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)C3=CC(=CC=C3)OCC4=CC=CS4

DOS

IR

Vibrations