Geometry & MOs

Info

ID:	71860
PubChem CID:	48415546
Reduced:	OSN3C21H21 (1)
Stoich.:	ABC3D21E21 (1)
Weight, g/mol:	412.156912
ΔH_f, kcal/mol:	29.82
Dipole, Da:	7.11
IP(EA), eV:	-8.72(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylbenzamide

Drug info:

PubChemData

Smile

CC1=C(SC2=CC=CC=C12)C(=O)N(C)CCCC3=NC4=CC=CC=C4N3

DOS

IR

Vibrations