Geometry & MOs

Info

ID:	441734
PubChem CID:	135242310
Reduced:	SO3N5C19H25 (1)
Stoich.:	AB3C5D19E25 (1)
Weight, g/mol:	363.231063
ΔH_f, kcal/mol:	-40.13
Dipole, Da:	6.05
IP(EA), eV:	-8.52(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[(2S)-3-(2,2-dimethylpropyl)-2-methyl-2H-imidazol-1-yl]-2-ethyl-7-methyl-[1]benzofuro[2,3-b]pyridine

Drug info:

PubChemData

Smile

C1CC2C(C3C=CC=C3C=C2C1)C4=C(C(NC5N4NCC5)S(=O)(=O)N)C(=O)N

DOS

IR

Vibrations