Geometry & MOs

Info

ID:	72211
PubChem CID:	48415928
Reduced:	ClO2N4C22H23 (1)
Stoich.:	AB2C4D22E23 (1)
Weight, g/mol:	416.130697
ΔH_f, kcal/mol:	-34.04
Dipole, Da:	6.56
IP(EA), eV:	-8.72(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-5-(1,3-benzothiazol-2-yl)-N-methylfuran-2-carboxamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)C3CC(=O)N(C3)C4=CC=CC=C4Cl

DOS

IR

Vibrations