Geometry & MOs

Info

ID:	343603
PubChem CID:	127266779
Reduced:	OSN3C14H17 (1)
Stoich.:	ABC3D14E17 (1)
Weight, g/mol:	334.119654
ΔH_f, kcal/mol:	8.88
Dipole, Da:	5.0
IP(EA), eV:	-8.62(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetamido-N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-4-methylpent-4-enamide

Drug info:

PubChemData

Smile

CC1=C2C=C(C=CC2=NN1)C(=O)N3CCCSCC3

DOS

IR

Vibrations