Geometry & MOs

Info

ID:	68993
PubChem CID:	46515041
Reduced:	SN3O5H23C24 (1)
Stoich.:	AB3C5D23E24 (1)
Weight, g/mol:	351.158292
ΔH_f, kcal/mol:	-54.81
Dipole, Da:	4.71
IP(EA), eV:	-9.08(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(2-methylbenzimidazol-1-yl)propyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])CC4=CC=CC=C4

DOS

IR

Vibrations