Geometry & MOs

Info

ID:	16166
PubChem CID:	460500
Reduced:	ClSO2N3H20C21 (1)
Stoich.:	ABC2D3E20F21 (1)
Weight, g/mol:	413.096476
ΔH_f, kcal/mol:	-8.81
Dipole, Da:	6.98
IP(EA), eV:	-9.16(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(benzenesulfonyl)-5-chloro-1H-indol-2-yl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole

Drug info:

PubChemData

Smile

C1CCC2C(C1)NC(=N2)C3=C(C4=C(N3)C=CC(=C4)Cl)S(=O)(=O)C5=CC=CC=C5

DOS

IR

Vibrations