Geometry & MOs

Info

ID:	126633
PubChem CID:	50970917
Reduced:	ClFON3H11C12 (1)
Stoich.:	ABCD3E11F12 (1)
Weight, g/mol:	329.119798
ΔH_f, kcal/mol:	-22.09
Dipole, Da:	2.85
IP(EA), eV:	-9.09(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-5-(methylsulfanylmethyl)furan-2-carboxamide

Drug info:

PubChemData

Smile

CNC1=NC(=NC=C1F)C2=C(C=CC=C2Cl)OC

DOS

IR

Vibrations