Geometry & MOs

Info

ID:	138934
PubChem CID:	52446098
Reduced:	FSO2N3C17H20 (1)
Stoich.:	ABC2D3E17F20 (1)
Weight, g/mol:	305.156184
ΔH_f, kcal/mol:	-52.96
Dipole, Da:	3.9
IP(EA), eV:	-8.9(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-butylsulfanylpropanamide

Drug info:

PubChemData

Smile

CCCCOC(=O)CSC1=NN=C(N1C2CC2)C3=CC=CC=C3F

DOS

IR

Vibrations