Geometry & MOs

Info

ID:	72212
PubChem CID:	48415929
Reduced:	SO2N4H20C23 (1)
Stoich.:	AB2C4D20E23 (1)
Weight, g/mol:	397.128255
ΔH_f, kcal/mol:	43.1
Dipole, Da:	4.21
IP(EA), eV:	-8.79(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)C3=CC=C(O3)C4=NC5=CC=CC=C5S4

DOS

IR

Vibrations