Geometry & MOs

Info

ID:	182185
PubChem CID:	76856388
Reduced:	O2N3H19C23 (1)
Stoich.:	A2B3C19D23 (1)
Weight, g/mol:	494.198777
ΔH_f, kcal/mol:	31.88
Dipole, Da:	1.89
IP(EA), eV:	-8.81(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1-adamantyl)ethyl]-4-[(2-oxo-3,5-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=CC=C2NC(=O)CCC3=NC(=O)C4C=CC=CC4=N3

DOS

IR

Vibrations